(4S)-2-(3,5-dimethylphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol

C17H17FO2 — CID 104948056

IUPAC(4S)-2-(3,5-dimethylphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol
SMILESCc1cc(C)cc(C2C[C@H](O)c3cc(F)ccc3O2)c1
InChIInChI=1S/C17H17FO2/c1-10-5-11(2)7-12(6-10)17-9-15(19)14-8-13(18)3-4-16(14)20-17/h3-8,15,17,19H,9H2,1-2H3/t15-,17?/m0/s1
InChIKeyULMJKLTUPVOJBO-MYJWUSKBSA-N
MW272.32 g/mol
LogP4.00
Rot. Bonds1

About (4S)-2-(3,5-dimethylphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol

(4S)-2-(3,5-dimethylphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol (PubChem CID 104948056) has the molecular formula C17H17FO2 and a molecular weight of 272.32 g/mol. Its IUPAC name is (4S)-2-(3,5-dimethylphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name(4S)-2-(3,5-dimethylphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol
PubChem CID104948056
Molecular FormulaC17H17FO2
Molecular Weight272.32 g/mol
Exact Mass272.12
IUPAC Name(4S)-2-(3,5-dimethylphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol
SMILESCc1cc(C)cc(C2C[C@H](O)c3cc(F)ccc3O2)c1
InChIInChI=1S/C17H17FO2/c1-10-5-11(2)7-12(6-10)17-9-15(19)14-8-13(18)3-4-16(14)20-17/h3-8,15,17,19H,9H2,1-2H3/t15-,17?/m0/s1
InChIKeyULMJKLTUPVOJBO-MYJWUSKBSA-N
XLogP4.00
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4S)-2-(3,5-dimethylphenyl)-6-fluoro-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

2-(3,5-dimethylphenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 114715712
6-fluoro-2-(3,4,5-trifluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714043
(4S)-6-bromo-2-(3,5-dimethylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104951129
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
(4R)-6-fluoro-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-ol
CID 104948412
(4S)-6-fluoro-2-(4-methylsulfanylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104948023
(4S)-2-(2,5-difluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 104950561
2-(4-bromo-3-methylphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 114714057
(4S)-2-(3-chlorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 104948114
(4S)-2-(4-bromo-3-fluorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 104948186
2-(2,5-dimethylthiophen-3-yl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 114714166

Frequently Asked Questions

What is the IUPAC name of (4S)-2-(3,5-dimethylphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of (4S)-2-(3,5-dimethylphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol (CID 104948056) is (4S)-2-(3,5-dimethylphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for (4S)-2-(3,5-dimethylphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for (4S)-2-(3,5-dimethylphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol is Cc1cc(C)cc(C2C[C@H](O)c3cc(F)ccc3O2)c1.
What is the InChIKey of (4S)-2-(3,5-dimethylphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is ULMJKLTUPVOJBO-MYJWUSKBSA-N. The full InChI is InChI=1S/C17H17FO2/c1-10-5-11(2)7-12(6-10)17-9-15(19)14-8-13(18)3-4-16(14)20-17/h3-8,15,17,19H,9H2,1-2H3/t15-,17?/m0/s1.
What are the key properties of (4S)-2-(3,5-dimethylphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol?
(4S)-2-(3,5-dimethylphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 272.32 g/mol, XLogP of 4.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-(3,5-dimethylphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 104948056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).