(2,3-difluoro-4-methylphenyl)-(2,3-dihydro-1H-inden-1-yl)methanol

C17H16F2O — CID 107512914

IUPAC(2,3-difluoro-4-methylphenyl)-(2,3-dihydro-1H-inden-1-yl)methanol
SMILESCc1ccc(C(O)C2CCc3ccccc32)c(F)c1F
InChIInChI=1S/C17H16F2O/c1-10-6-8-14(16(19)15(10)18)17(20)13-9-7-11-4-2-3-5-12(11)13/h2-6,8,13,17,20H,7,9H2,1H3
InChIKeyIMEFIRBEYNBWRQ-UHFFFAOYSA-N
MW274.31 g/mol
LogP4.04
Rot. Bonds2

About (2,3-difluoro-4-methylphenyl)-(2,3-dihydro-1H-inden-1-yl)methanol

(2,3-difluoro-4-methylphenyl)-(2,3-dihydro-1H-inden-1-yl)methanol (PubChem CID 107512914) has the molecular formula C17H16F2O and a molecular weight of 274.31 g/mol. Its IUPAC name is (2,3-difluoro-4-methylphenyl)-(2,3-dihydro-1H-inden-1-yl)methanol.

Molecular Properties

Compound Name(2,3-difluoro-4-methylphenyl)-(2,3-dihydro-1H-inden-1-yl)methanol
PubChem CID107512914
Molecular FormulaC17H16F2O
Molecular Weight274.31 g/mol
Exact Mass274.12
IUPAC Name(2,3-difluoro-4-methylphenyl)-(2,3-dihydro-1H-inden-1-yl)methanol
SMILESCc1ccc(C(O)C2CCc3ccccc32)c(F)c1F
InChIInChI=1S/C17H16F2O/c1-10-6-8-14(16(19)15(10)18)17(20)13-9-7-11-4-2-3-5-12(11)13/h2-6,8,13,17,20H,7,9H2,1H3
InChIKeyIMEFIRBEYNBWRQ-UHFFFAOYSA-N
XLogP4.04
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2,3-difluoro-4-methylphenyl)-(2,3-dihydro-1H-inden-1-yl)methanol 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-dihydro-1H-inden-1-yl-(2-methylphenyl)methanol
CID 65410784
(2,3-difluoro-4-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanol
CID 107512915
[(2,3-difluoro-4-methylphenyl)-(2,3-dihydro-1H-inden-1-yl)methyl]hydrazine
CID 107516416
(2,3-difluoro-4-methylphenyl)-(3,4-dihydro-1H-isochromen-1-yl)methanol
CID 107516255
2,3-dihydro-1H-inden-1-yl(naphthalen-1-yl)methanol
CID 65411181
(1R)-1-propan-2-yl-2,3-dihydro-1H-indene
CID 59961726
2,3-dihydro-1H-inden-1-yl-(4-fluoro-2-methylphenyl)methanamine
CID 65406101
2,3-dihydro-1H-inden-1-yl(pyrimidin-5-yl)methanol
CID 65409603
1-(2,3-dihydro-1H-inden-1-yl)propan-1-ol
CID 18690782
2,3-dihydro-1H-inden-1-yl-(2,3,4-trifluorophenyl)methanamine
CID 65406294
(2,3-difluoro-4-methylphenyl)-(3,4-dihydro-1H-isochromen-1-yl)methanamine
CID 107515266
1-(2,6-difluoro-3-methylphenyl)-1-(2,3-dihydro-1H-inden-1-yl)-N-methylmethanamine
CID 82802818

Frequently Asked Questions

What is the IUPAC name of (2,3-difluoro-4-methylphenyl)-(2,3-dihydro-1H-inden-1-yl)methanol?
The IUPAC name of (2,3-difluoro-4-methylphenyl)-(2,3-dihydro-1H-inden-1-yl)methanol (CID 107512914) is (2,3-difluoro-4-methylphenyl)-(2,3-dihydro-1H-inden-1-yl)methanol.
What is the SMILES notation for (2,3-difluoro-4-methylphenyl)-(2,3-dihydro-1H-inden-1-yl)methanol?
The canonical SMILES for (2,3-difluoro-4-methylphenyl)-(2,3-dihydro-1H-inden-1-yl)methanol is Cc1ccc(C(O)C2CCc3ccccc32)c(F)c1F.
What is the InChIKey of (2,3-difluoro-4-methylphenyl)-(2,3-dihydro-1H-inden-1-yl)methanol?
The InChIKey is IMEFIRBEYNBWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2O/c1-10-6-8-14(16(19)15(10)18)17(20)13-9-7-11-4-2-3-5-12(11)13/h2-6,8,13,17,20H,7,9H2,1H3.
What are the key properties of (2,3-difluoro-4-methylphenyl)-(2,3-dihydro-1H-inden-1-yl)methanol?
(2,3-difluoro-4-methylphenyl)-(2,3-dihydro-1H-inden-1-yl)methanol has a molecular weight of 274.31 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluoro-4-methylphenyl)-(2,3-dihydro-1H-inden-1-yl)methanol is sourced from PubChem (CID 107512914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).