5-methoxy-7,7-dimethyl-2-phenyl-3,4-dihydro-2H-pyrano[3,4-h]chromen-4-ol

C21H22O4 — CID 162919446

IUPAC5-methoxy-7,7-dimethyl-2-phenyl-3,4-dihydro-2H-pyrano[3,4-h]chromen-4-ol
SMILESCOc1cc2c(c3c1C(O)CC(c1ccccc1)O3)C=COC2(C)C
InChIInChI=1S/C21H22O4/c1-21(2)15-11-18(23-3)19-16(22)12-17(13-7-5-4-6-8-13)25-20(19)14(15)9-10-24-21/h4-11,16-17,22H,12H2,1-3H3
InChIKeyDJLVQLNNAMLMDT-UHFFFAOYSA-N
MW338.40 g/mol
LogP4.49
Rot. Bonds2

About 5-methoxy-7,7-dimethyl-2-phenyl-3,4-dihydro-2H-pyrano[3,4-h]chromen-4-ol

5-methoxy-7,7-dimethyl-2-phenyl-3,4-dihydro-2H-pyrano[3,4-h]chromen-4-ol (PubChem CID 162919446) has the molecular formula C21H22O4 and a molecular weight of 338.40 g/mol. Its IUPAC name is 5-methoxy-7,7-dimethyl-2-phenyl-3,4-dihydro-2H-pyrano[3,4-h]chromen-4-ol.

Molecular Properties

Compound Name5-methoxy-7,7-dimethyl-2-phenyl-3,4-dihydro-2H-pyrano[3,4-h]chromen-4-ol
PubChem CID162919446
Molecular FormulaC21H22O4
Molecular Weight338.40 g/mol
Exact Mass338.15
IUPAC Name5-methoxy-7,7-dimethyl-2-phenyl-3,4-dihydro-2H-pyrano[3,4-h]chromen-4-ol
SMILESCOc1cc2c(c3c1C(O)CC(c1ccccc1)O3)C=COC2(C)C
InChIInChI=1S/C21H22O4/c1-21(2)15-11-18(23-3)19-16(22)12-17(13-7-5-4-6-8-13)25-20(19)14(15)9-10-24-21/h4-11,16-17,22H,12H2,1-3H3
InChIKeyDJLVQLNNAMLMDT-UHFFFAOYSA-N
XLogP4.49
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-methoxy-7,7-dimethyl-2-phenyl-3,4-dihydro-2H-pyrano[3,4-h]chromen-4-ol with MolForge

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Related Compounds

5,7-dimethoxy-8-(3-methylbut-2-enyl)-2-phenyl-3,4-dihydro-2H-chromen-4-ol
CID 3536735
(2S,4S)-5,7-dimethoxy-2-phenyl-3,4-dihydro-2H-chromen-4-ol
CID 10755627
(4S)-7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-ol
CID 104948683
(2R,4S)-4,5,7-trimethoxy-8-(3-methylbut-2-enyl)-2-phenyl-3,4-dihydro-2H-chromene
CID 23872141
(2S,4R)-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-benzo[h]chromen-4-ol
CID 10384269
(3S)-3-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-benzo[f]chromen-1-ol
CID 59656246
(3S)-3-hydroxy-5-phenyloxolan-2-one
CID 46197935
(3R,5R)-3-hydroxy-5-phenyloxolan-2-one
CID 11665488
6,8-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one
CID 24978119
(3R,5R,13R)-9-methoxy-4,4-dimethyl-13-phenyl-6,14-dioxatetracyclo[8.4.0.02,7.03,5]tetradeca-1,7,9-trien-11-one
CID 98050771
7-methoxy-2-(3-methoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714356
(2S,4R)-2-phenyl-3,4-dihydro-2H-chromen-4-ol
CID 6923720

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-7,7-dimethyl-2-phenyl-3,4-dihydro-2H-pyrano[3,4-h]chromen-4-ol?
The IUPAC name of 5-methoxy-7,7-dimethyl-2-phenyl-3,4-dihydro-2H-pyrano[3,4-h]chromen-4-ol (CID 162919446) is 5-methoxy-7,7-dimethyl-2-phenyl-3,4-dihydro-2H-pyrano[3,4-h]chromen-4-ol.
What is the SMILES notation for 5-methoxy-7,7-dimethyl-2-phenyl-3,4-dihydro-2H-pyrano[3,4-h]chromen-4-ol?
The canonical SMILES for 5-methoxy-7,7-dimethyl-2-phenyl-3,4-dihydro-2H-pyrano[3,4-h]chromen-4-ol is COc1cc2c(c3c1C(O)CC(c1ccccc1)O3)C=COC2(C)C.
What is the InChIKey of 5-methoxy-7,7-dimethyl-2-phenyl-3,4-dihydro-2H-pyrano[3,4-h]chromen-4-ol?
The InChIKey is DJLVQLNNAMLMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22O4/c1-21(2)15-11-18(23-3)19-16(22)12-17(13-7-5-4-6-8-13)25-20(19)14(15)9-10-24-21/h4-11,16-17,22H,12H2,1-3H3.
What are the key properties of 5-methoxy-7,7-dimethyl-2-phenyl-3,4-dihydro-2H-pyrano[3,4-h]chromen-4-ol?
5-methoxy-7,7-dimethyl-2-phenyl-3,4-dihydro-2H-pyrano[3,4-h]chromen-4-ol has a molecular weight of 338.40 g/mol, XLogP of 4.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-7,7-dimethyl-2-phenyl-3,4-dihydro-2H-pyrano[3,4-h]chromen-4-ol is sourced from PubChem (CID 162919446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).