[4-(difluoromethyl)phenyl]-[3-(2-methylpropyl)phenyl]methanol

C18H20F2O — CID 116542777

IUPAC[4-(difluoromethyl)phenyl]-[3-(2-methylpropyl)phenyl]methanol
SMILESCC(C)Cc1cccc(C(O)c2ccc(C(F)F)cc2)c1
InChIInChI=1S/C18H20F2O/c1-12(2)10-13-4-3-5-16(11-13)17(21)14-6-8-15(9-7-14)18(19)20/h3-9,11-12,17-18,21H,10H2,1-2H3
InChIKeyATVFLLHYMRSWFR-UHFFFAOYSA-N
MW290.35 g/mol
LogP4.90
Rot. Bonds5

About [4-(difluoromethyl)phenyl]-[3-(2-methylpropyl)phenyl]methanol

[4-(difluoromethyl)phenyl]-[3-(2-methylpropyl)phenyl]methanol (PubChem CID 116542777) has the molecular formula C18H20F2O and a molecular weight of 290.35 g/mol. Its IUPAC name is [4-(difluoromethyl)phenyl]-[3-(2-methylpropyl)phenyl]methanol.

Molecular Properties

Compound Name[4-(difluoromethyl)phenyl]-[3-(2-methylpropyl)phenyl]methanol
PubChem CID116542777
Molecular FormulaC18H20F2O
Molecular Weight290.35 g/mol
Exact Mass290.15
IUPAC Name[4-(difluoromethyl)phenyl]-[3-(2-methylpropyl)phenyl]methanol
SMILESCC(C)Cc1cccc(C(O)c2ccc(C(F)F)cc2)c1
InChIInChI=1S/C18H20F2O/c1-12(2)10-13-4-3-5-16(11-13)17(21)14-6-8-15(9-7-14)18(19)20/h3-9,11-12,17-18,21H,10H2,1-2H3
InChIKeyATVFLLHYMRSWFR-UHFFFAOYSA-N
XLogP4.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[3-(difluoromethyl)phenyl]propan-2-ol
CID 117280458
(4-ethoxyphenyl)-[3-(2-methylpropyl)phenyl]methanol
CID 116542362
(4-chloro-3-methylphenyl)-[3-(2-methylpropyl)phenyl]methanol
CID 115838225
(3-ethoxyphenyl)-[3-(2-methylpropyl)phenyl]methanol
CID 116542374
(4-chloro-2,5-difluorophenyl)-[3-(2-methylpropyl)phenyl]methanol
CID 115838226
2-methoxy-1-[3-(2-methylpropyl)phenyl]ethanol
CID 116543527
(2-methoxy-4-methylphenyl)-[3-(2-methylpropyl)phenyl]methanol
CID 106790968
(3-chlorothiophen-2-yl)-[3-(2-methylpropyl)phenyl]methanol
CID 115838197
[3-(2-methylpropyl)phenyl]-(1,3-thiazol-5-yl)methanol
CID 116542846
3,4,4,4-tetrafluoro-1-[3-(2-methylpropyl)phenyl]-3-(trifluoromethyl)butan-1-ol
CID 156764154
3,3,4,4,4-pentafluoro-1-[3-(2-methylpropyl)phenyl]butan-1-ol
CID 156764542
(5-chloro-2-pyridinyl)-[3-(2-methylpropyl)phenyl]methanol
CID 116543738

Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethyl)phenyl]-[3-(2-methylpropyl)phenyl]methanol?
The IUPAC name of [4-(difluoromethyl)phenyl]-[3-(2-methylpropyl)phenyl]methanol (CID 116542777) is [4-(difluoromethyl)phenyl]-[3-(2-methylpropyl)phenyl]methanol.
What is the SMILES notation for [4-(difluoromethyl)phenyl]-[3-(2-methylpropyl)phenyl]methanol?
The canonical SMILES for [4-(difluoromethyl)phenyl]-[3-(2-methylpropyl)phenyl]methanol is CC(C)Cc1cccc(C(O)c2ccc(C(F)F)cc2)c1.
What is the InChIKey of [4-(difluoromethyl)phenyl]-[3-(2-methylpropyl)phenyl]methanol?
The InChIKey is ATVFLLHYMRSWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2O/c1-12(2)10-13-4-3-5-16(11-13)17(21)14-6-8-15(9-7-14)18(19)20/h3-9,11-12,17-18,21H,10H2,1-2H3.
What are the key properties of [4-(difluoromethyl)phenyl]-[3-(2-methylpropyl)phenyl]methanol?
[4-(difluoromethyl)phenyl]-[3-(2-methylpropyl)phenyl]methanol has a molecular weight of 290.35 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethyl)phenyl]-[3-(2-methylpropyl)phenyl]methanol is sourced from PubChem (CID 116542777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).