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

C17H18F2O — CID 107516181

IUPAC1-(2,3-difluoro-4-methylphenyl)-4-phenylbutan-1-ol
SMILESCc1ccc(C(O)CCCc2ccccc2)c(F)c1F
InChIInChI=1S/C17H18F2O/c1-12-10-11-14(17(19)16(12)18)15(20)9-5-8-13-6-3-2-4-7-13/h2-4,6-7,10-11,15,20H,5,8-9H2,1H3
InChIKeyQENWDQOMEWTUHO-UHFFFAOYSA-N
MW276.33 g/mol
LogP4.33
Rot. Bonds5

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

1-(2,3-difluoro-4-methylphenyl)-4-phenylbutan-1-ol (PubChem CID 107516181) has the molecular formula C17H18F2O and a molecular weight of 276.33 g/mol. Its IUPAC name is 1-(2,3-difluoro-4-methylphenyl)-4-phenylbutan-1-ol.

Molecular Properties

Compound Name1-(2,3-difluoro-4-methylphenyl)-4-phenylbutan-1-ol
PubChem CID107516181
Molecular FormulaC17H18F2O
Molecular Weight276.33 g/mol
Exact Mass276.13
IUPAC Name1-(2,3-difluoro-4-methylphenyl)-4-phenylbutan-1-ol
SMILESCc1ccc(C(O)CCCc2ccccc2)c(F)c1F
InChIInChI=1S/C17H18F2O/c1-12-10-11-14(17(19)16(12)18)15(20)9-5-8-13-6-3-2-4-7-13/h2-4,6-7,10-11,15,20H,5,8-9H2,1H3
InChIKeyQENWDQOMEWTUHO-UHFFFAOYSA-N
XLogP4.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-fluoro-3-methylphenyl)-3-phenylpropan-1-ol
CID 114979028
[1-(2,3-difluoro-4-methylphenyl)-3-phenylpropyl]hydrazine
CID 107516336
1-(3-fluoro-4-methylphenyl)-4-phenylbutan-1-ol
CID 62608212
1-(2,3-difluoro-4-methylphenyl)-3-(4-methoxyphenyl)propan-1-ol
CID 107516243
1-(3,4-dimethylphenyl)-4-phenylbutan-1-ol
CID 65148452
1-(2,5-dimethylfuran-3-yl)-4-phenylbutan-1-ol
CID 115791080
1-(2-chlorophenyl)-4-phenylbutan-1-ol
CID 62607678
1-(4-chloro-2,5-difluorophenyl)-4-phenylbutan-1-ol
CID 115791241
1-(2,3-difluoro-4-methylphenyl)-2-pyridin-3-ylethanol
CID 107512866
1-(2,3-difluoro-4-methylphenyl)-2-methylsulfanylethanol
CID 107512869
1-(2-fluorophenyl)-3-phenylpropan-1-ol
CID 62502803
1-[2-(difluoromethoxy)phenyl]-4-phenylbutan-1-ol
CID 65150664

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluoro-4-methylphenyl)-4-phenylbutan-1-ol?
The IUPAC name of 1-(2,3-difluoro-4-methylphenyl)-4-phenylbutan-1-ol (CID 107516181) is 1-(2,3-difluoro-4-methylphenyl)-4-phenylbutan-1-ol.
What is the SMILES notation for 1-(2,3-difluoro-4-methylphenyl)-4-phenylbutan-1-ol?
The canonical SMILES for 1-(2,3-difluoro-4-methylphenyl)-4-phenylbutan-1-ol is Cc1ccc(C(O)CCCc2ccccc2)c(F)c1F.
What is the InChIKey of 1-(2,3-difluoro-4-methylphenyl)-4-phenylbutan-1-ol?
The InChIKey is QENWDQOMEWTUHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2O/c1-12-10-11-14(17(19)16(12)18)15(20)9-5-8-13-6-3-2-4-7-13/h2-4,6-7,10-11,15,20H,5,8-9H2,1H3.
What are the key properties of 1-(2,3-difluoro-4-methylphenyl)-4-phenylbutan-1-ol?
1-(2,3-difluoro-4-methylphenyl)-4-phenylbutan-1-ol has a molecular weight of 276.33 g/mol, XLogP of 4.33, 5 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)-4-phenylbutan-1-ol is sourced from PubChem (CID 107516181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).