(4R)-2-(4-fluoro-3-methylphenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol

C17H17FO3 — CID 104948583

IUPAC(4R)-2-(4-fluoro-3-methylphenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol
SMILESCOc1ccc2c(c1)OC(c1ccc(F)c(C)c1)C[C@H]2O
InChIInChI=1S/C17H17FO3/c1-10-7-11(3-6-14(10)18)16-9-15(19)13-5-4-12(20-2)8-17(13)21-16/h3-8,15-16,19H,9H2,1-2H3/t15-,16?/m1/s1
InChIKeyABWDBTXKJNJYIA-AAFJCEBUSA-N
MW288.32 g/mol
LogP3.70
Rot. Bonds2

About (4R)-2-(4-fluoro-3-methylphenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol

(4R)-2-(4-fluoro-3-methylphenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol (PubChem CID 104948583) has the molecular formula C17H17FO3 and a molecular weight of 288.32 g/mol. Its IUPAC name is (4R)-2-(4-fluoro-3-methylphenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name(4R)-2-(4-fluoro-3-methylphenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol
PubChem CID104948583
Molecular FormulaC17H17FO3
Molecular Weight288.32 g/mol
Exact Mass288.12
IUPAC Name(4R)-2-(4-fluoro-3-methylphenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol
SMILESCOc1ccc2c(c1)OC(c1ccc(F)c(C)c1)C[C@H]2O
InChIInChI=1S/C17H17FO3/c1-10-7-11(3-6-14(10)18)16-9-15(19)13-5-4-12(20-2)8-17(13)21-16/h3-8,15-16,19H,9H2,1-2H3/t15-,16?/m1/s1
InChIKeyABWDBTXKJNJYIA-AAFJCEBUSA-N
XLogP3.70
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4R)-2-(4-fluoro-3-methylphenyl)-7-methoxy-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

7-methoxy-2-(3-methoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714356
(4S)-7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-ol
CID 104948683
2-(3-hydroxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 114714377
(4R)-2-(4-fluoro-3-methylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104946999
(4R)-2-(3-chloro-4-hydroxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 104948581
(4R)-2-(3-chloro-4-fluorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 104950909
2-(3-bromo-4-chlorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 114714248
2-(2,4-dimethylphenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 114714374
(4R)-2-(3-bromo-4-fluorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104944739
(4R)-2-(3,4-difluorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104944865
(4R)-6-bromo-2-(4-fluoro-3-methylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104951447
7-fluoro-2-(3-fluoro-4-methylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114715884

Frequently Asked Questions

What is the IUPAC name of (4R)-2-(4-fluoro-3-methylphenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of (4R)-2-(4-fluoro-3-methylphenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol (CID 104948583) is (4R)-2-(4-fluoro-3-methylphenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for (4R)-2-(4-fluoro-3-methylphenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for (4R)-2-(4-fluoro-3-methylphenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol is COc1ccc2c(c1)OC(c1ccc(F)c(C)c1)C[C@H]2O.
What is the InChIKey of (4R)-2-(4-fluoro-3-methylphenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is ABWDBTXKJNJYIA-AAFJCEBUSA-N. The full InChI is InChI=1S/C17H17FO3/c1-10-7-11(3-6-14(10)18)16-9-15(19)13-5-4-12(20-2)8-17(13)21-16/h3-8,15-16,19H,9H2,1-2H3/t15-,16?/m1/s1.
What are the key properties of (4R)-2-(4-fluoro-3-methylphenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol?
(4R)-2-(4-fluoro-3-methylphenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 288.32 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-(4-fluoro-3-methylphenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 104948583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).