(2S,4S)-5,7-dimethoxy-2-phenyl-3,4-dihydro-2H-chromen-4-ol

C17H18O4 — CID 10755627

IUPAC(2S,4S)-5,7-dimethoxy-2-phenyl-3,4-dihydro-2H-chromen-4-ol
SMILESCOc1cc(OC)c2c(c1)O[C@H](c1ccccc1)C[C@@H]2O
InChIInChI=1S/C17H18O4/c1-19-12-8-15(20-2)17-13(18)10-14(21-16(17)9-12)11-6-4-3-5-7-11/h3-9,13-14,18H,10H2,1-2H3/t13-,14-/m0/s1
InChIKeyCWYZJSXIDDQYEG-KBPBESRZSA-N
MW286.33 g/mol
LogP3.26
Rot. Bonds3

About (2S,4S)-5,7-dimethoxy-2-phenyl-3,4-dihydro-2H-chromen-4-ol

(2S,4S)-5,7-dimethoxy-2-phenyl-3,4-dihydro-2H-chromen-4-ol (PubChem CID 10755627) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is (2S,4S)-5,7-dimethoxy-2-phenyl-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name(2S,4S)-5,7-dimethoxy-2-phenyl-3,4-dihydro-2H-chromen-4-ol
PubChem CID10755627
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Name(2S,4S)-5,7-dimethoxy-2-phenyl-3,4-dihydro-2H-chromen-4-ol
SMILESCOc1cc(OC)c2c(c1)O[C@H](c1ccccc1)C[C@@H]2O
InChIInChI=1S/C17H18O4/c1-19-12-8-15(20-2)17-13(18)10-14(21-16(17)9-12)11-6-4-3-5-7-11/h3-9,13-14,18H,10H2,1-2H3/t13-,14-/m0/s1
InChIKeyCWYZJSXIDDQYEG-KBPBESRZSA-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

(4S)-7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-ol
CID 104948683
7-methoxy-2-(3-methoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714356
5,7-dimethoxy-8-(3-methylbut-2-enyl)-2-phenyl-3,4-dihydro-2H-chromen-4-ol
CID 3536735
(4R)-7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-amine
CID 104944729
2-(3-hydroxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 114714377
(3S)-3-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-benzo[f]chromen-1-ol
CID 59656246
7-methoxy-2-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714285
(4S)-6-methoxy-2-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104950789
[3-[(2R,4S)-4-hydroxy-7-methoxy-3,4-dihydro-2H-chromen-2-yl]phenyl] acetate
CID 821291
5-methoxy-7,7-dimethyl-2-phenyl-3,4-dihydro-2H-pyrano[3,4-h]chromen-4-ol
CID 162919446
(2R,3S,4R)-5,7-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-3,4-diol
CID 14080194
5,7-dimethoxy-2-phenyl-2H-chromene
CID 10635591

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-5,7-dimethoxy-2-phenyl-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of (2S,4S)-5,7-dimethoxy-2-phenyl-3,4-dihydro-2H-chromen-4-ol (CID 10755627) is (2S,4S)-5,7-dimethoxy-2-phenyl-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for (2S,4S)-5,7-dimethoxy-2-phenyl-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for (2S,4S)-5,7-dimethoxy-2-phenyl-3,4-dihydro-2H-chromen-4-ol is COc1cc(OC)c2c(c1)O[C@H](c1ccccc1)C[C@@H]2O.
What is the InChIKey of (2S,4S)-5,7-dimethoxy-2-phenyl-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is CWYZJSXIDDQYEG-KBPBESRZSA-N. The full InChI is InChI=1S/C17H18O4/c1-19-12-8-15(20-2)17-13(18)10-14(21-16(17)9-12)11-6-4-3-5-7-11/h3-9,13-14,18H,10H2,1-2H3/t13-,14-/m0/s1.
What are the key properties of (2S,4S)-5,7-dimethoxy-2-phenyl-3,4-dihydro-2H-chromen-4-ol?
(2S,4S)-5,7-dimethoxy-2-phenyl-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 (2S,4S)-5,7-dimethoxy-2-phenyl-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 10755627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).