(3,3-difluorocyclohexyl)-(4-ethylphenyl)methanol

C15H20F2O — CID 114215750

IUPAC(3,3-difluorocyclohexyl)-(4-ethylphenyl)methanol
SMILESCCc1ccc(C(O)C2CCCC(F)(F)C2)cc1
InChIInChI=1S/C15H20F2O/c1-2-11-5-7-12(8-6-11)14(18)13-4-3-9-15(16,17)10-13/h5-8,13-14,18H,2-4,9-10H2,1H3
InChIKeyUMCZOONYHNKCGQ-UHFFFAOYSA-N
MW254.32 g/mol
LogP4.11
Rot. Bonds3

About (3,3-difluorocyclohexyl)-(4-ethylphenyl)methanol

(3,3-difluorocyclohexyl)-(4-ethylphenyl)methanol (PubChem CID 114215750) has the molecular formula C15H20F2O and a molecular weight of 254.32 g/mol. Its IUPAC name is (3,3-difluorocyclohexyl)-(4-ethylphenyl)methanol.

Molecular Properties

Compound Name(3,3-difluorocyclohexyl)-(4-ethylphenyl)methanol
PubChem CID114215750
Molecular FormulaC15H20F2O
Molecular Weight254.32 g/mol
Exact Mass254.15
IUPAC Name(3,3-difluorocyclohexyl)-(4-ethylphenyl)methanol
SMILESCCc1ccc(C(O)C2CCCC(F)(F)C2)cc1
InChIInChI=1S/C15H20F2O/c1-2-11-5-7-12(8-6-11)14(18)13-4-3-9-15(16,17)10-13/h5-8,13-14,18H,2-4,9-10H2,1H3
InChIKeyUMCZOONYHNKCGQ-UHFFFAOYSA-N
XLogP4.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-Phenylethanol
CID 7409
Cuminol
CID 325
1-Phenyl-1-propanol
CID 7147
Fenipentol
CID 3338
4-Methylbenzyl alcohol
CID 11505
Benzhydrol
CID 7037
p,alpha-DIMETHYLBENZYL ALCOHOL
CID 10817
1-Phenylethanol, (S)-
CID 443135
1-Phenylethanol, (R)-
CID 637516
Bay 27-9955
CID 5311277
Benzenemethanol, (1-((1,1-dimethylethyl)dioxy)-1-methylethyl)-alpha,alpha-dimethyl-
CID 18935
(1,1'-Biphenyl)-4-methanol
CID 19186

Frequently Asked Questions

What is the IUPAC name of (3,3-difluorocyclohexyl)-(4-ethylphenyl)methanol?
The IUPAC name of (3,3-difluorocyclohexyl)-(4-ethylphenyl)methanol (CID 114215750) is (3,3-difluorocyclohexyl)-(4-ethylphenyl)methanol.
What is the SMILES notation for (3,3-difluorocyclohexyl)-(4-ethylphenyl)methanol?
The canonical SMILES for (3,3-difluorocyclohexyl)-(4-ethylphenyl)methanol is CCc1ccc(C(O)C2CCCC(F)(F)C2)cc1.
What is the InChIKey of (3,3-difluorocyclohexyl)-(4-ethylphenyl)methanol?
The InChIKey is UMCZOONYHNKCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2O/c1-2-11-5-7-12(8-6-11)14(18)13-4-3-9-15(16,17)10-13/h5-8,13-14,18H,2-4,9-10H2,1H3.
What are the key properties of (3,3-difluorocyclohexyl)-(4-ethylphenyl)methanol?
(3,3-difluorocyclohexyl)-(4-ethylphenyl)methanol has a molecular weight of 254.32 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluorocyclohexyl)-(4-ethylphenyl)methanol is sourced from PubChem (CID 114215750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).