(4S)-6-methoxy-2-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-ol

C17H18O4 — CID 104950789

IUPAC(4S)-6-methoxy-2-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
SMILESCOc1ccc2c(c1)[C@@H](O)CC(c1ccccc1OC)O2
InChIInChI=1S/C17H18O4/c1-19-11-7-8-16-13(9-11)14(18)10-17(21-16)12-5-3-4-6-15(12)20-2/h3-9,14,17-18H,10H2,1-2H3/t14-,17?/m0/s1
InChIKeyHPUCLDXICXYYLC-MBIQTGHCSA-N
MW286.33 g/mol
LogP3.26
Rot. Bonds3

About (4S)-6-methoxy-2-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-ol

(4S)-6-methoxy-2-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-ol (PubChem CID 104950789) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is (4S)-6-methoxy-2-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name(4S)-6-methoxy-2-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
PubChem CID104950789
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Name(4S)-6-methoxy-2-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
SMILESCOc1ccc2c(c1)[C@@H](O)CC(c1ccccc1OC)O2
InChIInChI=1S/C17H18O4/c1-19-11-7-8-16-13(9-11)14(18)10-17(21-16)12-5-3-4-6-15(12)20-2/h3-9,14,17-18H,10H2,1-2H3/t14-,17?/m0/s1
InChIKeyHPUCLDXICXYYLC-MBIQTGHCSA-N
XLogP3.26
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-methoxy-2-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714285
2-(2-methoxyphenyl)-3,4-dihydro-2H-chromene-4,6-diol
CID 161182223
6-chloro-2-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714479
(4R)-6-chloro-2-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104949171
2-(2,4-dimethylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 114715443
(4R)-7-methoxy-2-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104944809
2-(2-bromo-4-methylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 114715418
(4R)-2-(4-chlorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 104951026
2-(4-bromo-2-chlorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 114715455
(4R)-2-(4-chloro-2-fluorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 104980296
(4S)-7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-ol
CID 104948683
(4S)-2-(5-bromothiophen-2-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 104950840

Frequently Asked Questions

What is the IUPAC name of (4S)-6-methoxy-2-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of (4S)-6-methoxy-2-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-ol (CID 104950789) is (4S)-6-methoxy-2-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for (4S)-6-methoxy-2-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for (4S)-6-methoxy-2-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-ol is COc1ccc2c(c1)[C@@H](O)CC(c1ccccc1OC)O2.
What is the InChIKey of (4S)-6-methoxy-2-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is HPUCLDXICXYYLC-MBIQTGHCSA-N. The full InChI is InChI=1S/C17H18O4/c1-19-11-7-8-16-13(9-11)14(18)10-17(21-16)12-5-3-4-6-15(12)20-2/h3-9,14,17-18H,10H2,1-2H3/t14-,17?/m0/s1.
What are the key properties of (4S)-6-methoxy-2-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-ol?
(4S)-6-methoxy-2-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 286.33 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6-methoxy-2-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 104950789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).