7-(1-aminoethenyl)-2,2-diethyl-3,4-dihydrochromen-5-ol;2,2-diethyl-7-methyl-3,4-dihydrochromen-5-ol;2,2-diethyl-7-methylsulfonyl-3,4-dihydrochromen-5-ol;2,2-diethyl-7-propan-2-yl-3,4-dihydrochromen-5-ol;2,2-diethyl-7-propan-2-ylsulfonyl-3,4-dihydrochromen-5-ol;2,2-dimethyl-7-(6-methyl-3-pyridinyl)-3,4-dihydrochromen-5-ol;2,2-dimethyl-7-pyridin-2-yl-3,4-dihydrochromen-5-ol

C108H145N3O18S2 — CID 163467121

IUPAC7-(1-aminoethenyl)-2,2-diethyl-3,4-dihydrochromen-5-ol;2,2-diethyl-7-methyl-3,4-dihydrochromen-5-ol;2,2-diethyl-7-methylsulfonyl-3,4-dihydrochromen-5-ol;2,2-diethyl-7-propan-2-yl-3,4-dihydrochromen-5-ol;2,2-diethyl-7-propan-2-ylsulfonyl-3,4-dihydrochromen-5-ol;2,2-dimethyl-7-(6-methyl-3-pyridinyl)-3,4-dihydrochromen-5-ol;2,2-dimethyl-7-pyridin-2-yl-3,4-dihydrochromen-5-ol
SMILESC=C(N)c1cc(O)c2c(c1)OC(CC)(CC)CC2.CC1(C)CCc2c(O)cc(-c3ccccn3)cc2O1.CCC1(CC)CCc2c(O)cc(C(C)C)cc2O1.CCC1(CC)CCc2c(O)cc(C)cc2O1.CCC1(CC)CCc2c(O)cc(S(=O)(=O)C(C)C)cc2O1.CCC1(CC)CCc2c(O)cc(S(C)(=O)=O)cc2O1.Cc1ccc(-c2cc(O)c3c(c2)OC(C)(C)CC3)cn1
InChIInChI=1S/C17H19NO2.C16H17NO2.C16H24O4S.C16H24O2.C15H21NO2.C14H20O4S.C14H20O2/c1-11-4-5-12(10-18-11)13-8-15(19)14-6-7-17(2,3)20-16(14)9-13;1-16(2)7-6-12-14(18)9-11(10-15(12)19-16)13-5-3-4-8-17-13;1-5-16(6-2)8-7-13-14(17)9-12(10-15(13)20-16)21(18,19)11(3)4;1-5-16(6-2)8-7-13-14(17)9-12(11(3)4)10-15(13)18-16;1-4-15(5-2)7-6-12-13(17)8-11(10(3)16)9-14(12)18-15;1-4-14(5-2)7-6-11-12(15)8-10(19(3,16)17)9-13(11)18-14;1-4-14(5-2)7-6-11-12(15)8-10(3)9-13(11)16-14/h4-5,8-10,19H,6-7H2,1-3H3;3-5,8-10,18H,6-7H2,1-2H3;9-11,17H,5-8H2,1-4H3;9-11,17H,5-8H2,1-4H3;8-9,17H,3-7,16H2,1-2H3;8-9,15H,4-7H2,1-3H3;8-9,15H,4-7H2,1-3H3
InChIKeyBTNRQWBHEUXCBD-UHFFFAOYSA-N
MW1837.48 g/mol
LogP24.75
Rot. Bonds17

About 7-(1-aminoethenyl)-2,2-diethyl-3,4-dihydrochromen-5-ol;2,2-diethyl-7-methyl-3,4-dihydrochromen-5-ol;2,2-diethyl-7-methylsulfonyl-3,4-dihydrochromen-5-ol;2,2-diethyl-7-propan-2-yl-3,4-dihydrochromen-5-ol;2,2-diethyl-7-propan-2-ylsulfonyl-3,4-dihydrochromen-5-ol;2,2-dimethyl-7-(6-methyl-3-pyridinyl)-3,4-dihydrochromen-5-ol;2,2-dimethyl-7-pyridin-2-yl-3,4-dihydrochromen-5-ol

7-(1-aminoethenyl)-2,2-diethyl-3,4-dihydrochromen-5-ol;2,2-diethyl-7-methyl-3,4-dihydrochromen-5-ol;2,2-diethyl-7-methylsulfonyl-3,4-dihydrochromen-5-ol;2,2-diethyl-7-propan-2-yl-3,4-dihydrochromen-5-ol;2,2-diethyl-7-propan-2-ylsulfonyl-3,4-dihydrochromen-5-ol;2,2-dimethyl-7-(6-methyl-3-pyridinyl)-3,4-dihydrochromen-5-ol;2,2-dimethyl-7-pyridin-2-yl-3,4-dihydrochromen-5-ol (PubChem CID 163467121) has the molecular formula C108H145N3O18S2 and a molecular weight of 1837.48 g/mol. Its IUPAC name is 7-(1-aminoethenyl)-2,2-diethyl-3,4-dihydrochromen-5-ol;2,2-diethyl-7-methyl-3,4-dihydrochromen-5-ol;2,2-diethyl-7-methylsulfonyl-3,4-dihydrochromen-5-ol;2,2-diethyl-7-propan-2-yl-3,4-dihydrochromen-5-ol;2,2-diethyl-7-propan-2-ylsulfonyl-3,4-dihydrochromen-5-ol;2,2-dimethyl-7-(6-methyl-3-pyridinyl)-3,4-dihydrochromen-5-ol;2,2-dimethyl-7-pyridin-2-yl-3,4-dihydrochromen-5-ol.

Molecular Properties

Compound Name7-(1-aminoethenyl)-2,2-diethyl-3,4-dihydrochromen-5-ol;2,2-diethyl-7-methyl-3,4-dihydrochromen-5-ol;2,2-diethyl-7-methylsulfonyl-3,4-dihydrochromen-5-ol;2,2-diethyl-7-propan-2-yl-3,4-dihydrochromen-5-ol;2,2-diethyl-7-propan-2-ylsulfonyl-3,4-dihydrochromen-5-ol;2,2-dimethyl-7-(6-methyl-3-pyridinyl)-3,4-dihydrochromen-5-ol;2,2-dimethyl-7-pyridin-2-yl-3,4-dihydrochromen-5-ol
PubChem CID163467121
Molecular FormulaC108H145N3O18S2
Molecular Weight1837.48 g/mol
Exact Mass1836.00
IUPAC Name7-(1-aminoethenyl)-2,2-diethyl-3,4-dihydrochromen-5-ol;2,2-diethyl-7-methyl-3,4-dihydrochromen-5-ol;2,2-diethyl-7-methylsulfonyl-3,4-dihydrochromen-5-ol;2,2-diethyl-7-propan-2-yl-3,4-dihydrochromen-5-ol;2,2-diethyl-7-propan-2-ylsulfonyl-3,4-dihydrochromen-5-ol;2,2-dimethyl-7-(6-methyl-3-pyridinyl)-3,4-dihydrochromen-5-ol;2,2-dimethyl-7-pyridin-2-yl-3,4-dihydrochromen-5-ol
SMILESC=C(N)c1cc(O)c2c(c1)OC(CC)(CC)CC2.CC1(C)CCc2c(O)cc(-c3ccccn3)cc2O1.CCC1(CC)CCc2c(O)cc(C(C)C)cc2O1.CCC1(CC)CCc2c(O)cc(C)cc2O1.CCC1(CC)CCc2c(O)cc(S(=O)(=O)C(C)C)cc2O1.CCC1(CC)CCc2c(O)cc(S(C)(=O)=O)cc2O1.Cc1ccc(-c2cc(O)c3c(c2)OC(C)(C)CC3)cn1
InChIInChI=1S/C17H19NO2.C16H17NO2.C16H24O4S.C16H24O2.C15H21NO2.C14H20O4S.C14H20O2/c1-11-4-5-12(10-18-11)13-8-15(19)14-6-7-17(2,3)20-16(14)9-13;1-16(2)7-6-12-14(18)9-11(10-15(12)19-16)13-5-3-4-8-17-13;1-5-16(6-2)8-7-13-14(17)9-12(10-15(13)20-16)21(18,19)11(3)4;1-5-16(6-2)8-7-13-14(17)9-12(11(3)4)10-15(13)18-16;1-4-15(5-2)7-6-12-13(17)8-11(10(3)16)9-14(12)18-15;1-4-14(5-2)7-6-11-12(15)8-10(19(3,16)17)9-13(11)18-14;1-4-14(5-2)7-6-11-12(15)8-10(3)9-13(11)16-14/h4-5,8-10,19H,6-7H2,1-3H3;3-5,8-10,18H,6-7H2,1-2H3;9-11,17H,5-8H2,1-4H3;9-11,17H,5-8H2,1-4H3;8-9,17H,3-7,16H2,1-2H3;8-9,15H,4-7H2,1-3H3;8-9,15H,4-7H2,1-3H3
InChIKeyBTNRQWBHEUXCBD-UHFFFAOYSA-N
XLogP24.75
TPSA326.30 Ų
H-Bond Donors8
H-Bond Acceptors21
Rotatable Bonds17
Heavy Atoms131
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001837.48
LogP ≤ 524.75
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1021

Analyze 7-(1-aminoethenyl)-2,2-diethyl-3,4-dihydrochromen-5-ol;2,2-diethyl-7-methyl-3,4-dihydrochromen-5-ol;2,2-diethyl-7-methylsulfonyl-3,4-dihydrochromen-5-ol;2,2-diethyl-7-propan-2-yl-3,4-dihydrochromen-5-ol;2,2-diethyl-7-propan-2-ylsulfonyl-3,4-dihydrochromen-5-ol;2,2-dimethyl-7-(6-methyl-3-pyridinyl)-3,4-dihydrochromen-5-ol;2,2-dimethyl-7-pyridin-2-yl-3,4-dihydrochromen-5-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(1-aminoethenyl)-2,2-diethyl-3,4-dihydrochromen-5-ol;2,2-diethyl-7-methyl-3,4-dihydrochromen-5-ol;2,2-diethyl-7-methylsulfonyl-3,4-dihydrochromen-5-ol;2,2-diethyl-7-propan-2-yl-3,4-dihydrochromen-5-ol;2,2-diethyl-7-propan-2-ylsulfonyl-3,4-dihydrochromen-5-ol;2,2-dimethyl-7-(6-methyl-3-pyridinyl)-3,4-dihydrochromen-5-ol;2,2-dimethyl-7-pyridin-2-yl-3,4-dihydrochromen-5-ol?
The IUPAC name of 7-(1-aminoethenyl)-2,2-diethyl-3,4-dihydrochromen-5-ol;2,2-diethyl-7-methyl-3,4-dihydrochromen-5-ol;2,2-diethyl-7-methylsulfonyl-3,4-dihydrochromen-5-ol;2,2-diethyl-7-propan-2-yl-3,4-dihydrochromen-5-ol;2,2-diethyl-7-propan-2-ylsulfonyl-3,4-dihydrochromen-5-ol;2,2-dimethyl-7-(6-methyl-3-pyridinyl)-3,4-dihydrochromen-5-ol;2,2-dimethyl-7-pyridin-2-yl-3,4-dihydrochromen-5-ol (CID 163467121) is 7-(1-aminoethenyl)-2,2-diethyl-3,4-dihydrochromen-5-ol;2,2-diethyl-7-methyl-3,4-dihydrochromen-5-ol;2,2-diethyl-7-methylsulfonyl-3,4-dihydrochromen-5-ol;2,2-diethyl-7-propan-2-yl-3,4-dihydrochromen-5-ol;2,2-diethyl-7-propan-2-ylsulfonyl-3,4-dihydrochromen-5-ol;2,2-dimethyl-7-(6-methyl-3-pyridinyl)-3,4-dihydrochromen-5-ol;2,2-dimethyl-7-pyridin-2-yl-3,4-dihydrochromen-5-ol.
What is the SMILES notation for 7-(1-aminoethenyl)-2,2-diethyl-3,4-dihydrochromen-5-ol;2,2-diethyl-7-methyl-3,4-dihydrochromen-5-ol;2,2-diethyl-7-methylsulfonyl-3,4-dihydrochromen-5-ol;2,2-diethyl-7-propan-2-yl-3,4-dihydrochromen-5-ol;2,2-diethyl-7-propan-2-ylsulfonyl-3,4-dihydrochromen-5-ol;2,2-dimethyl-7-(6-methyl-3-pyridinyl)-3,4-dihydrochromen-5-ol;2,2-dimethyl-7-pyridin-2-yl-3,4-dihydrochromen-5-ol?
The canonical SMILES for 7-(1-aminoethenyl)-2,2-diethyl-3,4-dihydrochromen-5-ol;2,2-diethyl-7-methyl-3,4-dihydrochromen-5-ol;2,2-diethyl-7-methylsulfonyl-3,4-dihydrochromen-5-ol;2,2-diethyl-7-propan-2-yl-3,4-dihydrochromen-5-ol;2,2-diethyl-7-propan-2-ylsulfonyl-3,4-dihydrochromen-5-ol;2,2-dimethyl-7-(6-methyl-3-pyridinyl)-3,4-dihydrochromen-5-ol;2,2-dimethyl-7-pyridin-2-yl-3,4-dihydrochromen-5-ol is C=C(N)c1cc(O)c2c(c1)OC(CC)(CC)CC2.CC1(C)CCc2c(O)cc(-c3ccccn3)cc2O1.CCC1(CC)CCc2c(O)cc(C(C)C)cc2O1.CCC1(CC)CCc2c(O)cc(C)cc2O1.CCC1(CC)CCc2c(O)cc(S(=O)(=O)C(C)C)cc2O1.CCC1(CC)CCc2c(O)cc(S(C)(=O)=O)cc2O1.Cc1ccc(-c2cc(O)c3c(c2)OC(C)(C)CC3)cn1.
What is the InChIKey of 7-(1-aminoethenyl)-2,2-diethyl-3,4-dihydrochromen-5-ol;2,2-diethyl-7-methyl-3,4-dihydrochromen-5-ol;2,2-diethyl-7-methylsulfonyl-3,4-dihydrochromen-5-ol;2,2-diethyl-7-propan-2-yl-3,4-dihydrochromen-5-ol;2,2-diethyl-7-propan-2-ylsulfonyl-3,4-dihydrochromen-5-ol;2,2-dimethyl-7-(6-methyl-3-pyridinyl)-3,4-dihydrochromen-5-ol;2,2-dimethyl-7-pyridin-2-yl-3,4-dihydrochromen-5-ol?
The InChIKey is BTNRQWBHEUXCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2.C16H17NO2.C16H24O4S.C16H24O2.C15H21NO2.C14H20O4S.C14H20O2/c1-11-4-5-12(10-18-11)13-8-15(19)14-6-7-17(2,3)20-16(14)9-13;1-16(2)7-6-12-14(18)9-11(10-15(12)19-16)13-5-3-4-8-17-13;1-5-16(6-2)8-7-13-14(17)9-12(10-15(13)20-16)21(18,19)11(3)4;1-5-16(6-2)8-7-13-14(17)9-12(11(3)4)10-15(13)18-16;1-4-15(5-2)7-6-12-13(17)8-11(10(3)16)9-14(12)18-15;1-4-14(5-2)7-6-11-12(15)8-10(19(3,16)17)9-13(11)18-14;1-4-14(5-2)7-6-11-12(15)8-10(3)9-13(11)16-14/h4-5,8-10,19H,6-7H2,1-3H3;3-5,8-10,18H,6-7H2,1-2H3;9-11,17H,5-8H2,1-4H3;9-11,17H,5-8H2,1-4H3;8-9,17H,3-7,16H2,1-2H3;8-9,15H,4-7H2,1-3H3;8-9,15H,4-7H2,1-3H3.
What are the key properties of 7-(1-aminoethenyl)-2,2-diethyl-3,4-dihydrochromen-5-ol;2,2-diethyl-7-methyl-3,4-dihydrochromen-5-ol;2,2-diethyl-7-methylsulfonyl-3,4-dihydrochromen-5-ol;2,2-diethyl-7-propan-2-yl-3,4-dihydrochromen-5-ol;2,2-diethyl-7-propan-2-ylsulfonyl-3,4-dihydrochromen-5-ol;2,2-dimethyl-7-(6-methyl-3-pyridinyl)-3,4-dihydrochromen-5-ol;2,2-dimethyl-7-pyridin-2-yl-3,4-dihydrochromen-5-ol?
7-(1-aminoethenyl)-2,2-diethyl-3,4-dihydrochromen-5-ol;2,2-diethyl-7-methyl-3,4-dihydrochromen-5-ol;2,2-diethyl-7-methylsulfonyl-3,4-dihydrochromen-5-ol;2,2-diethyl-7-propan-2-yl-3,4-dihydrochromen-5-ol;2,2-diethyl-7-propan-2-ylsulfonyl-3,4-dihydrochromen-5-ol;2,2-dimethyl-7-(6-methyl-3-pyridinyl)-3,4-dihydrochromen-5-ol;2,2-dimethyl-7-pyridin-2-yl-3,4-dihydrochromen-5-ol has a molecular weight of 1837.48 g/mol, XLogP of 24.75, 17 rotatable bonds, 8 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-aminoethenyl)-2,2-diethyl-3,4-dihydrochromen-5-ol;2,2-diethyl-7-methyl-3,4-dihydrochromen-5-ol;2,2-diethyl-7-methylsulfonyl-3,4-dihydrochromen-5-ol;2,2-diethyl-7-propan-2-yl-3,4-dihydrochromen-5-ol;2,2-diethyl-7-propan-2-ylsulfonyl-3,4-dihydrochromen-5-ol;2,2-dimethyl-7-(6-methyl-3-pyridinyl)-3,4-dihydrochromen-5-ol;2,2-dimethyl-7-pyridin-2-yl-3,4-dihydrochromen-5-ol is sourced from PubChem (CID 163467121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).