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

C16H14F2O — CID 107512076

IUPAC2-(2,3-difluoro-4-methylphenyl)-1,3-dihydroinden-2-ol
SMILESCc1ccc(C2(O)Cc3ccccc3C2)c(F)c1F
InChIInChI=1S/C16H14F2O/c1-10-6-7-13(15(18)14(10)17)16(19)8-11-4-2-3-5-12(11)9-16/h2-7,19H,8-9H2,1H3
InChIKeyVTQURLJORAGQSS-UHFFFAOYSA-N
MW260.28 g/mol
LogP3.26
Rot. Bonds1

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

2-(2,3-difluoro-4-methylphenyl)-1,3-dihydroinden-2-ol (PubChem CID 107512076) has the molecular formula C16H14F2O and a molecular weight of 260.28 g/mol. Its IUPAC name is 2-(2,3-difluoro-4-methylphenyl)-1,3-dihydroinden-2-ol.

Molecular Properties

Compound Name2-(2,3-difluoro-4-methylphenyl)-1,3-dihydroinden-2-ol
PubChem CID107512076
Molecular FormulaC16H14F2O
Molecular Weight260.28 g/mol
Exact Mass260.10
IUPAC Name2-(2,3-difluoro-4-methylphenyl)-1,3-dihydroinden-2-ol
SMILESCc1ccc(C2(O)Cc3ccccc3C2)c(F)c1F
InChIInChI=1S/C16H14F2O/c1-10-6-7-13(15(18)14(10)17)16(19)8-11-4-2-3-5-12(11)9-16/h2-7,19H,8-9H2,1H3
InChIKeyVTQURLJORAGQSS-UHFFFAOYSA-N
XLogP3.26
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 ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,3-difluoro-4-methylphenyl)-2,3-dihydroinden-1-ol
CID 107512075
5-(2,3-difluoro-4-methylphenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 107512073
4-(2,3-difluoro-4-methylphenyl)-1-propan-2-ylpiperidin-4-ol
CID 107512101
2-(2-fluoro-3-methoxyphenyl)-3,4-dihydro-1H-naphthalen-2-ol
CID 82806828
2-(2-methoxy-3,4-dimethylphenyl)-3,4-dihydro-1H-naphthalen-2-ol
CID 103432445
1-(2-fluoro-3-methylphenyl)cyclopropan-1-ol
CID 81477688
1-(2,3-difluoro-4-methylphenyl)-4-propylcyclohexan-1-ol
CID 107512064
2-(2,3-dimethylphenyl)-3,4-dihydro-1H-naphthalen-2-ol
CID 62549374
4-(2,3-difluoro-4-methylphenyl)-1-ethylazepan-4-ol
CID 107512253
1-(2,3-difluoro-4-methylphenyl)-4-(1,4-dioxaspiro[4.5]decan-8-yl)cyclohexan-1-ol
CID 58058754
6-methyl-2-(3,4,5-trifluorophenyl)-3,4-dihydro-1H-naphthalen-2-ol
CID 142035349
1-chloro-4-methylbenzene;2-(2,5-difluorophenyl)-1,3-dihydroinden-2-ol;propan-1-ol
CID 142260331

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluoro-4-methylphenyl)-1,3-dihydroinden-2-ol?
The IUPAC name of 2-(2,3-difluoro-4-methylphenyl)-1,3-dihydroinden-2-ol (CID 107512076) is 2-(2,3-difluoro-4-methylphenyl)-1,3-dihydroinden-2-ol.
What is the SMILES notation for 2-(2,3-difluoro-4-methylphenyl)-1,3-dihydroinden-2-ol?
The canonical SMILES for 2-(2,3-difluoro-4-methylphenyl)-1,3-dihydroinden-2-ol is Cc1ccc(C2(O)Cc3ccccc3C2)c(F)c1F.
What is the InChIKey of 2-(2,3-difluoro-4-methylphenyl)-1,3-dihydroinden-2-ol?
The InChIKey is VTQURLJORAGQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2O/c1-10-6-7-13(15(18)14(10)17)16(19)8-11-4-2-3-5-12(11)9-16/h2-7,19H,8-9H2,1H3.
What are the key properties of 2-(2,3-difluoro-4-methylphenyl)-1,3-dihydroinden-2-ol?
2-(2,3-difluoro-4-methylphenyl)-1,3-dihydroinden-2-ol has a molecular weight of 260.28 g/mol, XLogP of 3.26, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluoro-4-methylphenyl)-1,3-dihydroinden-2-ol is sourced from PubChem (CID 107512076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).