(4R)-2,2-bis(2-methylpropyl)-3,4-dihydrochromen-4-ol

C17H26O2 — CID 104980282

IUPAC(4R)-2,2-bis(2-methylpropyl)-3,4-dihydrochromen-4-ol
SMILESCC(C)CC1(CC(C)C)C[C@@H](O)c2ccccc2O1
InChIInChI=1S/C17H26O2/c1-12(2)9-17(10-13(3)4)11-15(18)14-7-5-6-8-16(14)19-17/h5-8,12-13,15,18H,9-11H2,1-4H3/t15-/m1/s1
InChIKeySDFQASZRCQIHEK-OAHLLOKOSA-N
MW262.39 g/mol
LogP4.33
Rot. Bonds4

About (4R)-2,2-bis(2-methylpropyl)-3,4-dihydrochromen-4-ol

(4R)-2,2-bis(2-methylpropyl)-3,4-dihydrochromen-4-ol (PubChem CID 104980282) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is (4R)-2,2-bis(2-methylpropyl)-3,4-dihydrochromen-4-ol.

Molecular Properties

Compound Name(4R)-2,2-bis(2-methylpropyl)-3,4-dihydrochromen-4-ol
PubChem CID104980282
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name(4R)-2,2-bis(2-methylpropyl)-3,4-dihydrochromen-4-ol
SMILESCC(C)CC1(CC(C)C)C[C@@H](O)c2ccccc2O1
InChIInChI=1S/C17H26O2/c1-12(2)9-17(10-13(3)4)11-15(18)14-7-5-6-8-16(14)19-17/h5-8,12-13,15,18H,9-11H2,1-4H3/t15-/m1/s1
InChIKeySDFQASZRCQIHEK-OAHLLOKOSA-N
XLogP4.33
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-2,2-diethyl-3,4-dihydrochromen-4-ol
CID 104950045
N-ethyl-2,2-bis(2-methylpropyl)-3,4-dihydrochromen-4-amine
CID 114868375
(4S)-4'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104949913
2-(1-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-ol
CID 114714861
(4R)-2-(1-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-ol
CID 104950040
2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-ol
CID 114714890
2,2-diphenyl-3,4-dihydrochromen-4-ol
CID 56694912
(4S)-2-cyclopropyl-2-methyl-3,4-dihydrochromen-4-ol
CID 104949988
2-cyclopropyl-2-ethyl-3,4-dihydrochromen-4-ol
CID 114714855
(4R)-2-cyclopropyl-2-ethyl-3,4-dihydrochromen-4-ol
CID 104950033
(4S)-3'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 107450789
(4S)-3',5'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104949996

Frequently Asked Questions

What is the IUPAC name of (4R)-2,2-bis(2-methylpropyl)-3,4-dihydrochromen-4-ol?
The IUPAC name of (4R)-2,2-bis(2-methylpropyl)-3,4-dihydrochromen-4-ol (CID 104980282) is (4R)-2,2-bis(2-methylpropyl)-3,4-dihydrochromen-4-ol.
What is the SMILES notation for (4R)-2,2-bis(2-methylpropyl)-3,4-dihydrochromen-4-ol?
The canonical SMILES for (4R)-2,2-bis(2-methylpropyl)-3,4-dihydrochromen-4-ol is CC(C)CC1(CC(C)C)C[C@@H](O)c2ccccc2O1.
What is the InChIKey of (4R)-2,2-bis(2-methylpropyl)-3,4-dihydrochromen-4-ol?
The InChIKey is SDFQASZRCQIHEK-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H26O2/c1-12(2)9-17(10-13(3)4)11-15(18)14-7-5-6-8-16(14)19-17/h5-8,12-13,15,18H,9-11H2,1-4H3/t15-/m1/s1.
What are the key properties of (4R)-2,2-bis(2-methylpropyl)-3,4-dihydrochromen-4-ol?
(4R)-2,2-bis(2-methylpropyl)-3,4-dihydrochromen-4-ol has a molecular weight of 262.39 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2,2-bis(2-methylpropyl)-3,4-dihydrochromen-4-ol is sourced from PubChem (CID 104980282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).