(2,4-difluorophenyl)-[4-(2-methylpropyl)phenyl]methanol

C17H18F2O — CID 61100850

IUPAC(2,4-difluorophenyl)-[4-(2-methylpropyl)phenyl]methanol
SMILESCC(C)Cc1ccc(C(O)c2ccc(F)cc2F)cc1
InChIInChI=1S/C17H18F2O/c1-11(2)9-12-3-5-13(6-4-12)17(20)15-8-7-14(18)10-16(15)19/h3-8,10-11,17,20H,9H2,1-2H3
InChIKeyASHIQQBHEWOOHA-UHFFFAOYSA-N
MW276.33 g/mol
LogP4.24
Rot. Bonds4

About (2,4-difluorophenyl)-[4-(2-methylpropyl)phenyl]methanol

(2,4-difluorophenyl)-[4-(2-methylpropyl)phenyl]methanol (PubChem CID 61100850) has the molecular formula C17H18F2O and a molecular weight of 276.33 g/mol. Its IUPAC name is (2,4-difluorophenyl)-[4-(2-methylpropyl)phenyl]methanol.

Molecular Properties

Compound Name(2,4-difluorophenyl)-[4-(2-methylpropyl)phenyl]methanol
PubChem CID61100850
Molecular FormulaC17H18F2O
Molecular Weight276.33 g/mol
Exact Mass276.13
IUPAC Name(2,4-difluorophenyl)-[4-(2-methylpropyl)phenyl]methanol
SMILESCC(C)Cc1ccc(C(O)c2ccc(F)cc2F)cc1
InChIInChI=1S/C17H18F2O/c1-11(2)9-12-3-5-13(6-4-12)17(20)15-8-7-14(18)10-16(15)19/h3-8,10-11,17,20H,9H2,1-2H3
InChIKeyASHIQQBHEWOOHA-UHFFFAOYSA-N
XLogP4.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-fluorophenyl)-[4-(2-methylpropyl)phenyl]methanol
CID 61100681
[4-(2-methylpropyl)phenyl]-(2,4,6-trifluorophenyl)methanol
CID 65100834
(2,4-dibromophenyl)-[4-(2-methylpropyl)phenyl]methanol
CID 107955306
(2-chlorophenyl)-[4-(2-methylpropyl)phenyl]methanol
CID 63428149
(4-fluoro-3-methoxyphenyl)-[4-(2-methylpropyl)phenyl]methanol
CID 81289069
(4-ethylphenyl)-(2,4,5-trifluorophenyl)methanol
CID 103303353
1-(2,4-difluorophenyl)-3-methylbutan-1-ol
CID 61087910
(3-bromo-4-methylphenyl)-(2,4-difluorophenyl)methanol
CID 81476067
(4-bromo-2-methoxyphenyl)-[4-(2-methylpropyl)phenyl]methanol
CID 115369706
[4-(2-methylpropyl)phenyl]-(4-methylsulfanylphenyl)methanol
CID 79217563
(2,4-difluorophenyl)-naphthalen-2-ylmethanol
CID 61087912
(2,4-difluorophenyl)-(5-methylfuran-3-yl)methanol
CID 114822277

Frequently Asked Questions

What is the IUPAC name of (2,4-difluorophenyl)-[4-(2-methylpropyl)phenyl]methanol?
The IUPAC name of (2,4-difluorophenyl)-[4-(2-methylpropyl)phenyl]methanol (CID 61100850) is (2,4-difluorophenyl)-[4-(2-methylpropyl)phenyl]methanol.
What is the SMILES notation for (2,4-difluorophenyl)-[4-(2-methylpropyl)phenyl]methanol?
The canonical SMILES for (2,4-difluorophenyl)-[4-(2-methylpropyl)phenyl]methanol is CC(C)Cc1ccc(C(O)c2ccc(F)cc2F)cc1.
What is the InChIKey of (2,4-difluorophenyl)-[4-(2-methylpropyl)phenyl]methanol?
The InChIKey is ASHIQQBHEWOOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2O/c1-11(2)9-12-3-5-13(6-4-12)17(20)15-8-7-14(18)10-16(15)19/h3-8,10-11,17,20H,9H2,1-2H3.
What are the key properties of (2,4-difluorophenyl)-[4-(2-methylpropyl)phenyl]methanol?
(2,4-difluorophenyl)-[4-(2-methylpropyl)phenyl]methanol has a molecular weight of 276.33 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluorophenyl)-[4-(2-methylpropyl)phenyl]methanol is sourced from PubChem (CID 61100850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).