(4S)-7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-ol

C16H16O3 — CID 104948683

IUPAC(4S)-7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-ol
SMILESCOc1ccc2c(c1)OC(c1ccccc1)C[C@@H]2O
InChIInChI=1S/C16H16O3/c1-18-12-7-8-13-14(17)10-15(19-16(13)9-12)11-5-3-2-4-6-11/h2-9,14-15,17H,10H2,1H3/t14-,15?/m0/s1
InChIKeyGMKMWNMOLXKFNU-MLCCFXAWSA-N
MW256.30 g/mol
LogP3.25
Rot. Bonds2

About (4S)-7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-ol

(4S)-7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-ol (PubChem CID 104948683) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is (4S)-7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name(4S)-7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-ol
PubChem CID104948683
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name(4S)-7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-ol
SMILESCOc1ccc2c(c1)OC(c1ccccc1)C[C@@H]2O
InChIInChI=1S/C16H16O3/c1-18-12-7-8-13-14(17)10-15(19-16(13)9-12)11-5-3-2-4-6-11/h2-9,14-15,17H,10H2,1H3/t14-,15?/m0/s1
InChIKeyGMKMWNMOLXKFNU-MLCCFXAWSA-N
XLogP3.25
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-methoxy-2-(3-methoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714356
2-(3-hydroxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 114714377
7-methoxy-2-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714285
(4R)-7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-amine
CID 104944729
[3-[(2R,4S)-4-hydroxy-7-methoxy-3,4-dihydro-2H-chromen-2-yl]phenyl] acetate
CID 821291
(2S,4S)-5,7-dimethoxy-2-phenyl-3,4-dihydro-2H-chromen-4-ol
CID 10755627
(4R)-2-(4-fluoro-3-methylphenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 104948583
(4R)-2-(3-chloro-4-hydroxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 104948581
2-(3-bromo-4-chlorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 114714248
2-(2,4-dimethylphenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 114714374
(4S)-7-fluoro-2-phenyl-3,4-dihydro-2H-chromen-4-ol
CID 104951796
(2S,4R)-2-phenyl-3,4-dihydro-2H-chromen-4-ol
CID 6923720

Frequently Asked Questions

What is the IUPAC name of (4S)-7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of (4S)-7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-ol (CID 104948683) is (4S)-7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for (4S)-7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for (4S)-7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-ol is COc1ccc2c(c1)OC(c1ccccc1)C[C@@H]2O.
What is the InChIKey of (4S)-7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is GMKMWNMOLXKFNU-MLCCFXAWSA-N. The full InChI is InChI=1S/C16H16O3/c1-18-12-7-8-13-14(17)10-15(19-16(13)9-12)11-5-3-2-4-6-11/h2-9,14-15,17H,10H2,1H3/t14-,15?/m0/s1.
What are the key properties of (4S)-7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-ol?
(4S)-7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 256.30 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 104948683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).