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

C17H18O4 — CID 90658537

IUPAC(3S)-3-(2,4-dimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
SMILESCOc1ccc([C@H]2COc3cc(O)ccc3C2)c(OC)c1
InChIInChI=1S/C17H18O4/c1-19-14-5-6-15(17(9-14)20-2)12-7-11-3-4-13(18)8-16(11)21-10-12/h3-6,8-9,12,18H,7,10H2,1-2H3/t12-/m1/s1
InChIKeyTUXCLJQCYVCGDW-GFCCVEGCSA-N
MW286.33 g/mol
LogP3.13
Rot. Bonds3

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

(3S)-3-(2,4-dimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol (PubChem CID 90658537) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is (3S)-3-(2,4-dimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol.

Molecular Properties

Compound Name(3S)-3-(2,4-dimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
PubChem CID90658537
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Name(3S)-3-(2,4-dimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
SMILESCOc1ccc([C@H]2COc3cc(O)ccc3C2)c(OC)c1
InChIInChI=1S/C17H18O4/c1-19-14-5-6-15(17(9-14)20-2)12-7-11-3-4-13(18)8-16(11)21-10-12/h3-6,8-9,12,18H,7,10H2,1-2H3/t12-/m1/s1
InChIKeyTUXCLJQCYVCGDW-GFCCVEGCSA-N
XLogP3.13
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 ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2,4-dimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol?
The IUPAC name of (3S)-3-(2,4-dimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol (CID 90658537) is (3S)-3-(2,4-dimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol.
What is the SMILES notation for (3S)-3-(2,4-dimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol?
The canonical SMILES for (3S)-3-(2,4-dimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol is COc1ccc([C@H]2COc3cc(O)ccc3C2)c(OC)c1.
What is the InChIKey of (3S)-3-(2,4-dimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol?
The InChIKey is TUXCLJQCYVCGDW-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H18O4/c1-19-14-5-6-15(17(9-14)20-2)12-7-11-3-4-13(18)8-16(11)21-10-12/h3-6,8-9,12,18H,7,10H2,1-2H3/t12-/m1/s1.
What are the key properties of (3S)-3-(2,4-dimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol?
(3S)-3-(2,4-dimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol has a molecular weight of 286.33 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2,4-dimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol is sourced from PubChem (CID 90658537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).