1-(2,3-difluoro-4-methylphenyl)-2,3-dihydroinden-1-ol

C16H14F2O — CID 107512075

IUPAC1-(2,3-difluoro-4-methylphenyl)-2,3-dihydroinden-1-ol
SMILESCc1ccc(C2(O)CCc3ccccc32)c(F)c1F
InChIInChI=1S/C16H14F2O/c1-10-6-7-13(15(18)14(10)17)16(19)9-8-11-4-2-3-5-12(11)16/h2-7,19H,8-9H2,1H3
InChIKeyJPWXINRGRMOUDL-UHFFFAOYSA-N
MW260.28 g/mol
LogP3.46
Rot. Bonds1

About 1-(2,3-difluoro-4-methylphenyl)-2,3-dihydroinden-1-ol

1-(2,3-difluoro-4-methylphenyl)-2,3-dihydroinden-1-ol (PubChem CID 107512075) has the molecular formula C16H14F2O and a molecular weight of 260.28 g/mol. Its IUPAC name is 1-(2,3-difluoro-4-methylphenyl)-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name1-(2,3-difluoro-4-methylphenyl)-2,3-dihydroinden-1-ol
PubChem CID107512075
Molecular FormulaC16H14F2O
Molecular Weight260.28 g/mol
Exact Mass260.10
IUPAC Name1-(2,3-difluoro-4-methylphenyl)-2,3-dihydroinden-1-ol
SMILESCc1ccc(C2(O)CCc3ccccc32)c(F)c1F
InChIInChI=1S/C16H14F2O/c1-10-6-7-13(15(18)14(10)17)16(19)9-8-11-4-2-3-5-12(11)16/h2-7,19H,8-9H2,1H3
InChIKeyJPWXINRGRMOUDL-UHFFFAOYSA-N
XLogP3.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(2,3-difluoro-4-methylphenyl)-2,3-dihydroinden-1-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

5-(2,3-difluoro-4-methylphenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 107512073
1-(5-fluoro-2-methylphenyl)-2,3-dihydroinden-1-ol
CID 55116074
2-(2,3-difluoro-4-methylphenyl)-1,3-dihydroinden-2-ol
CID 107512076
1-(3,4-difluorophenyl)-2,3-dihydroinden-1-ol
CID 62801026
5-(3,4-difluorophenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 62800863
1-(2-chloro-5-fluorophenyl)-3,4-dihydro-2H-naphthalen-1-ol
CID 105393720
1-(2-fluoro-3-methylphenyl)cyclopropan-1-ol
CID 81477688
1-(3-hydroxyphenyl)-2,3-dihydroinden-1-ol
CID 57292646
1-(3-chloro-4-methylphenyl)-5-fluoro-2,3-dihydroinden-1-ol
CID 107559695
1-quinolin-5-yl-2,3-dihydroinden-1-ol
CID 81196770
4-fluoro-1-(2,4,5-trimethylphenyl)-2,3-dihydroinden-1-ol
CID 83069257
1-(2,3-difluoro-4-methylphenyl)cyclohex-2-en-1-ol
CID 107512381

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluoro-4-methylphenyl)-2,3-dihydroinden-1-ol?
The IUPAC name of 1-(2,3-difluoro-4-methylphenyl)-2,3-dihydroinden-1-ol (CID 107512075) is 1-(2,3-difluoro-4-methylphenyl)-2,3-dihydroinden-1-ol.
What is the SMILES notation for 1-(2,3-difluoro-4-methylphenyl)-2,3-dihydroinden-1-ol?
The canonical SMILES for 1-(2,3-difluoro-4-methylphenyl)-2,3-dihydroinden-1-ol is Cc1ccc(C2(O)CCc3ccccc32)c(F)c1F.
What is the InChIKey of 1-(2,3-difluoro-4-methylphenyl)-2,3-dihydroinden-1-ol?
The InChIKey is JPWXINRGRMOUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2O/c1-10-6-7-13(15(18)14(10)17)16(19)9-8-11-4-2-3-5-12(11)16/h2-7,19H,8-9H2,1H3.
What are the key properties of 1-(2,3-difluoro-4-methylphenyl)-2,3-dihydroinden-1-ol?
1-(2,3-difluoro-4-methylphenyl)-2,3-dihydroinden-1-ol has a molecular weight of 260.28 g/mol, XLogP of 3.46, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluoro-4-methylphenyl)-2,3-dihydroinden-1-ol is sourced from PubChem (CID 107512075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).