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

C17H17ClO3 — CID 104948971

IUPAC(4S)-6-chloro-2-(4-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
SMILESCCOc1ccc(C2C[C@H](O)c3cc(Cl)ccc3O2)cc1
InChIInChI=1S/C17H17ClO3/c1-2-20-13-6-3-11(4-7-13)17-10-15(19)14-9-12(18)5-8-16(14)21-17/h3-9,15,17,19H,2,10H2,1H3/t15-,17?/m0/s1
InChIKeyLUDNDAOZCIYKHC-MYJWUSKBSA-N
MW304.77 g/mol
LogP4.30
Rot. Bonds3

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

(4S)-6-chloro-2-(4-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol (PubChem CID 104948971) has the molecular formula C17H17ClO3 and a molecular weight of 304.77 g/mol. Its IUPAC name is (4S)-6-chloro-2-(4-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name(4S)-6-chloro-2-(4-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
PubChem CID104948971
Molecular FormulaC17H17ClO3
Molecular Weight304.77 g/mol
Exact Mass304.09
IUPAC Name(4S)-6-chloro-2-(4-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
SMILESCCOc1ccc(C2C[C@H](O)c3cc(Cl)ccc3O2)cc1
InChIInChI=1S/C17H17ClO3/c1-2-20-13-6-3-11(4-7-13)17-10-15(19)14-9-12(18)5-8-16(14)21-17/h3-9,15,17,19H,2,10H2,1H3/t15-,17?/m0/s1
InChIKeyLUDNDAOZCIYKHC-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

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Related Compounds

(4S)-6-chloro-2-(3-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104948887
(4R)-2-(4-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104950145
(4R)-2-(4-chlorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 104951026
6-chloro-2-(4-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714604
(4S)-6-chloro-2-(2-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104949000
6-chloro-2-(4-chloro-3-fluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714517
2-(4-chlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 114715194
(4S)-6-chloro-2-(3,4-difluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104948892
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
6-chloro-2-(3-chloro-4-methylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 106819475
(4R)-2-(4-ethylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 104951076

Frequently Asked Questions

What is the IUPAC name of (4S)-6-chloro-2-(4-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of (4S)-6-chloro-2-(4-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol (CID 104948971) is (4S)-6-chloro-2-(4-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for (4S)-6-chloro-2-(4-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for (4S)-6-chloro-2-(4-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol is CCOc1ccc(C2C[C@H](O)c3cc(Cl)ccc3O2)cc1.
What is the InChIKey of (4S)-6-chloro-2-(4-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is LUDNDAOZCIYKHC-MYJWUSKBSA-N. The full InChI is InChI=1S/C17H17ClO3/c1-2-20-13-6-3-11(4-7-13)17-10-15(19)14-9-12(18)5-8-16(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-(4-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol?
(4S)-6-chloro-2-(4-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-(4-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 104948971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).