(4S)-6-chloro-2-(3-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol

C17H17ClO3 — CID 104948887

IUPAC(4S)-6-chloro-2-(3-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
SMILESCCOc1cccc(C2C[C@H](O)c3cc(Cl)ccc3O2)c1
InChIInChI=1S/C17H17ClO3/c1-2-20-13-5-3-4-11(8-13)17-10-15(19)14-9-12(18)6-7-16(14)21-17/h3-9,15,17,19H,2,10H2,1H3/t15-,17?/m0/s1
InChIKeyOWEZGPMJBNXLFT-MYJWUSKBSA-N
MW304.77 g/mol
LogP4.30
Rot. Bonds3

About (4S)-6-chloro-2-(3-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol

(4S)-6-chloro-2-(3-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol (PubChem CID 104948887) has the molecular formula C17H17ClO3 and a molecular weight of 304.77 g/mol. Its IUPAC name is (4S)-6-chloro-2-(3-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name(4S)-6-chloro-2-(3-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
PubChem CID104948887
Molecular FormulaC17H17ClO3
Molecular Weight304.77 g/mol
Exact Mass304.09
IUPAC Name(4S)-6-chloro-2-(3-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
SMILESCCOc1cccc(C2C[C@H](O)c3cc(Cl)ccc3O2)c1
InChIInChI=1S/C17H17ClO3/c1-2-20-13-5-3-4-11(8-13)17-10-15(19)14-9-12(18)6-7-16(14)21-17/h3-9,15,17,19H,2,10H2,1H3/t15-,17?/m0/s1
InChIKeyOWEZGPMJBNXLFT-MYJWUSKBSA-N
XLogP4.30
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.77
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4S)-6-chloro-2-(3-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S)-6-chloro-2-(4-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104948971
(4S)-2-(3-ethoxyphenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 104951800
2-(3-ethoxyphenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 114715708
(4S)-6-chloro-2-(2-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104949000
(4S)-2-(3-propoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104949995
6-chloro-2-(4-chloro-3-fluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714517
6-chloro-2-(3,5-dimethylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714427
(4R)-6-chloro-2-(3,5-dimethylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104949116
(4S)-2-(3-chlorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 104948114
6-chloro-2-(3-chloro-4-methylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 106819475
6-chloro-2-(4-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714604
(4R)-2-(4-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104950145

Frequently Asked Questions

What is the IUPAC name of (4S)-6-chloro-2-(3-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of (4S)-6-chloro-2-(3-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol (CID 104948887) is (4S)-6-chloro-2-(3-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for (4S)-6-chloro-2-(3-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for (4S)-6-chloro-2-(3-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol is CCOc1cccc(C2C[C@H](O)c3cc(Cl)ccc3O2)c1.
What is the InChIKey of (4S)-6-chloro-2-(3-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is OWEZGPMJBNXLFT-MYJWUSKBSA-N. The full InChI is InChI=1S/C17H17ClO3/c1-2-20-13-5-3-4-11(8-13)17-10-15(19)14-9-12(18)6-7-16(14)21-17/h3-9,15,17,19H,2,10H2,1H3/t15-,17?/m0/s1.
What are the key properties of (4S)-6-chloro-2-(3-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol?
(4S)-6-chloro-2-(3-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 304.77 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6-chloro-2-(3-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 104948887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).