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

C17H17ClO3 — CID 104949000

IUPAC(4S)-6-chloro-2-(2-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
SMILESCCOc1ccccc1C1C[C@H](O)c2cc(Cl)ccc2O1
InChIInChI=1S/C17H17ClO3/c1-2-20-15-6-4-3-5-12(15)17-10-14(19)13-9-11(18)7-8-16(13)21-17/h3-9,14,17,19H,2,10H2,1H3/t14-,17?/m0/s1
InChIKeySPFSFTGGUXUMQY-MBIQTGHCSA-N
MW304.77 g/mol
LogP4.30
Rot. Bonds3

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

(4S)-6-chloro-2-(2-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol (PubChem CID 104949000) has the molecular formula C17H17ClO3 and a molecular weight of 304.77 g/mol. Its IUPAC name is (4S)-6-chloro-2-(2-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name(4S)-6-chloro-2-(2-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
PubChem CID104949000
Molecular FormulaC17H17ClO3
Molecular Weight304.77 g/mol
Exact Mass304.09
IUPAC Name(4S)-6-chloro-2-(2-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
SMILESCCOc1ccccc1C1C[C@H](O)c2cc(Cl)ccc2O1
InChIInChI=1S/C17H17ClO3/c1-2-20-15-6-4-3-5-12(15)17-10-14(19)13-9-11(18)7-8-16(13)21-17/h3-9,14,17,19H,2,10H2,1H3/t14-,17?/m0/s1
InChIKeySPFSFTGGUXUMQY-MBIQTGHCSA-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

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
(4S)-2-(2-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104949924
6-chloro-2-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714567
(4S)-6-chloro-2-(4-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104948971
(4S)-6-chloro-2-(3-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104948887
7-bromo-2-(2-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714756
(4R)-6-chloro-2-[2-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromen-4-ol
CID 104949102
6-chloro-2-(2,3-difluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714453
(4S)-6-methoxy-2-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104950789
2-(2-methoxyphenyl)-3,4-dihydro-2H-chromene-4,6-diol
CID 161182223
2-(2-bromo-5-chlorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114715019

Frequently Asked Questions

What is the IUPAC name of (4S)-6-chloro-2-(2-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of (4S)-6-chloro-2-(2-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol (CID 104949000) is (4S)-6-chloro-2-(2-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for (4S)-6-chloro-2-(2-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for (4S)-6-chloro-2-(2-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol is CCOc1ccccc1C1C[C@H](O)c2cc(Cl)ccc2O1.
What is the InChIKey of (4S)-6-chloro-2-(2-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is SPFSFTGGUXUMQY-MBIQTGHCSA-N. The full InChI is InChI=1S/C17H17ClO3/c1-2-20-15-6-4-3-5-12(15)17-10-14(19)13-9-11(18)7-8-16(13)21-17/h3-9,14,17,19H,2,10H2,1H3/t14-,17?/m0/s1.
What are the key properties of (4S)-6-chloro-2-(2-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol?
(4S)-6-chloro-2-(2-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-(2-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 104949000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).