2,3-difluoro-4-(3-hydroxy-4-propylcyclohexyl)phenol

C15H20F2O2 — CID 176902879

IUPAC2,3-difluoro-4-(3-hydroxy-4-propylcyclohexyl)phenol
SMILESCCCC1CCC(c2ccc(O)c(F)c2F)CC1O
InChIInChI=1S/C15H20F2O2/c1-2-3-9-4-5-10(8-13(9)19)11-6-7-12(18)15(17)14(11)16/h6-7,9-10,13,18-19H,2-5,8H2,1H3
InChIKeyCXBMXJAMVNMVJW-UHFFFAOYSA-N
MW270.32 g/mol
LogP3.72
Rot. Bonds3

About 2,3-difluoro-4-(3-hydroxy-4-propylcyclohexyl)phenol

2,3-difluoro-4-(3-hydroxy-4-propylcyclohexyl)phenol (PubChem CID 176902879) has the molecular formula C15H20F2O2 and a molecular weight of 270.32 g/mol. Its IUPAC name is 2,3-difluoro-4-(3-hydroxy-4-propylcyclohexyl)phenol.

Molecular Properties

Compound Name2,3-difluoro-4-(3-hydroxy-4-propylcyclohexyl)phenol
PubChem CID176902879
Molecular FormulaC15H20F2O2
Molecular Weight270.32 g/mol
Exact Mass270.14
IUPAC Name2,3-difluoro-4-(3-hydroxy-4-propylcyclohexyl)phenol
SMILESCCCC1CCC(c2ccc(O)c(F)c2F)CC1O
InChIInChI=1S/C15H20F2O2/c1-2-3-9-4-5-10(8-13(9)19)11-6-7-12(18)15(17)14(11)16/h6-7,9-10,13,18-19H,2-5,8H2,1H3
InChIKeyCXBMXJAMVNMVJW-UHFFFAOYSA-N
XLogP3.72
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-(4-cyclopropylcyclohexyl)cyclohexyl]-2,3-difluorophenol
CID 164913639
4-cyclohexyl-2,3-difluorophenol
CID 134218235
2,3-difluoro-4-[4-(2-hydroxypropyl)cyclohexyl]phenol
CID 176902887
(1S,2R,5S)-5-methyl-2-propylcyclohexan-1-ol
CID 11899231
4-[[4-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]-2,3-difluorophenoxy]methyl]-2,3-difluorophenol
CID 122643430
1-chloro-2-fluoro-3-(3-propylcyclopentyl)benzene
CID 166167692
2,3-difluoro-1-methyl-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]benzene
CID 118965765
2,3-difluoro-1-propyl-4-(4-propylcyclohexyl)benzene
CID 19103623
1-(4-ethylcyclohexyl)-2,3-difluoro-4-(3-propylcyclopentyl)oxybenzene
CID 174722829
1-[2-[4-(2,3-difluoro-4-pentylphenyl)cyclohexyl]ethyl]-4-propyl-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 71001257
dichloromethane;2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenol;[2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl] 4-pentylcyclohexane-1-carboxylate;4-pentylcyclohexane-1-carboxylic acid
CID 160853385
ethane;1,7,8-trifluoro-6-(4-methylcyclohexyl)naphthalen-2-ol
CID 143998609

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-4-(3-hydroxy-4-propylcyclohexyl)phenol?
The IUPAC name of 2,3-difluoro-4-(3-hydroxy-4-propylcyclohexyl)phenol (CID 176902879) is 2,3-difluoro-4-(3-hydroxy-4-propylcyclohexyl)phenol.
What is the SMILES notation for 2,3-difluoro-4-(3-hydroxy-4-propylcyclohexyl)phenol?
The canonical SMILES for 2,3-difluoro-4-(3-hydroxy-4-propylcyclohexyl)phenol is CCCC1CCC(c2ccc(O)c(F)c2F)CC1O.
What is the InChIKey of 2,3-difluoro-4-(3-hydroxy-4-propylcyclohexyl)phenol?
The InChIKey is CXBMXJAMVNMVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2O2/c1-2-3-9-4-5-10(8-13(9)19)11-6-7-12(18)15(17)14(11)16/h6-7,9-10,13,18-19H,2-5,8H2,1H3.
What are the key properties of 2,3-difluoro-4-(3-hydroxy-4-propylcyclohexyl)phenol?
2,3-difluoro-4-(3-hydroxy-4-propylcyclohexyl)phenol has a molecular weight of 270.32 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-4-(3-hydroxy-4-propylcyclohexyl)phenol is sourced from PubChem (CID 176902879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).