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

C17H18O2 — CID 104949776

IUPAC(4S)-2-(2-ethylphenyl)-3,4-dihydro-2H-chromen-4-ol
SMILESCCc1ccccc1C1C[C@H](O)c2ccccc2O1
InChIInChI=1S/C17H18O2/c1-2-12-7-3-4-8-13(12)17-11-15(18)14-9-5-6-10-16(14)19-17/h3-10,15,17-18H,2,11H2,1H3/t15-,17?/m0/s1
InChIKeyWZKBJFHOBQLFFG-MYJWUSKBSA-N
MW254.33 g/mol
LogP3.81
Rot. Bonds2

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

(4S)-2-(2-ethylphenyl)-3,4-dihydro-2H-chromen-4-ol (PubChem CID 104949776) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is (4S)-2-(2-ethylphenyl)-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name(4S)-2-(2-ethylphenyl)-3,4-dihydro-2H-chromen-4-ol
PubChem CID104949776
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name(4S)-2-(2-ethylphenyl)-3,4-dihydro-2H-chromen-4-ol
SMILESCCc1ccccc1C1C[C@H](O)c2ccccc2O1
InChIInChI=1S/C17H18O2/c1-2-12-7-3-4-8-13(12)17-11-15(18)14-9-5-6-10-16(14)19-17/h3-10,15,17-18H,2,11H2,1H3/t15-,17?/m0/s1
InChIKeyWZKBJFHOBQLFFG-MYJWUSKBSA-N
XLogP3.81
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromen-4-ol
CID 114714858
(4R)-2-(2,3-dimethylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104950152
(4S)-2-(2-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104949924
(2S,4S)-2-naphthalen-1-yl-3,4-dihydro-2H-chromen-4-ol
CID 134948340
(2S,4R)-2-phenyl-3,4-dihydro-2H-chromen-4-ol
CID 6923720
(4R)-2-(2,4-dimethylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104950234
(4R)-2-(4-ethoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104950145
(4S)-6-fluoro-2-[2-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromen-4-ol
CID 104948044
(4R)-6-chloro-2-[2-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromen-4-ol
CID 104949102
(2R,4R)-2-(4-fluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 92935775
(4S)-2-pentan-3-yl-3,4-dihydro-2H-chromen-4-ol
CID 104949803
(2S,4S)-2-(1,3-benzodioxol-5-yl)-3,4-dihydro-2H-chromen-4-ol
CID 11277233

Frequently Asked Questions

What is the IUPAC name of (4S)-2-(2-ethylphenyl)-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of (4S)-2-(2-ethylphenyl)-3,4-dihydro-2H-chromen-4-ol (CID 104949776) is (4S)-2-(2-ethylphenyl)-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for (4S)-2-(2-ethylphenyl)-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for (4S)-2-(2-ethylphenyl)-3,4-dihydro-2H-chromen-4-ol is CCc1ccccc1C1C[C@H](O)c2ccccc2O1.
What is the InChIKey of (4S)-2-(2-ethylphenyl)-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is WZKBJFHOBQLFFG-MYJWUSKBSA-N. The full InChI is InChI=1S/C17H18O2/c1-2-12-7-3-4-8-13(12)17-11-15(18)14-9-5-6-10-16(14)19-17/h3-10,15,17-18H,2,11H2,1H3/t15-,17?/m0/s1.
What are the key properties of (4S)-2-(2-ethylphenyl)-3,4-dihydro-2H-chromen-4-ol?
(4S)-2-(2-ethylphenyl)-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 254.33 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-(2-ethylphenyl)-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 104949776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).