2-cyclohexyl-1-fluoro-4-methoxybenzene;formic acid

C14H19FO3 — CID 155731035

IUPAC2-cyclohexyl-1-fluoro-4-methoxybenzene;formic acid
SMILESCOc1ccc(F)c(C2CCCCC2)c1.O=CO
InChIInChI=1S/C13H17FO.CH2O2/c1-15-11-7-8-13(14)12(9-11)10-5-3-2-4-6-10;2-1-3/h7-10H,2-6H2,1H3;1H,(H,2,3)
InChIKeyWOLHRJWQZPKVAX-UHFFFAOYSA-N
MW254.30 g/mol
LogP3.58
Rot. Bonds2

About 2-cyclohexyl-1-fluoro-4-methoxybenzene;formic acid

2-cyclohexyl-1-fluoro-4-methoxybenzene;formic acid (PubChem CID 155731035) has the molecular formula C14H19FO3 and a molecular weight of 254.30 g/mol. Its IUPAC name is 2-cyclohexyl-1-fluoro-4-methoxybenzene;formic acid.

Molecular Properties

Compound Name2-cyclohexyl-1-fluoro-4-methoxybenzene;formic acid
PubChem CID155731035
Molecular FormulaC14H19FO3
Molecular Weight254.30 g/mol
Exact Mass254.13
IUPAC Name2-cyclohexyl-1-fluoro-4-methoxybenzene;formic acid
SMILESCOc1ccc(F)c(C2CCCCC2)c1.O=CO
InChIInChI=1S/C13H17FO.CH2O2/c1-15-11-7-8-13(14)12(9-11)10-5-3-2-4-6-10;2-1-3/h7-10H,2-6H2,1H3;1H,(H,2,3)
InChIKeyWOLHRJWQZPKVAX-UHFFFAOYSA-N
XLogP3.58
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 2-cyclohexyl-1-fluoro-4-methoxybenzene;formic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-fluoro-4-methoxybenzene;formic acid?
The IUPAC name of 2-cyclohexyl-1-fluoro-4-methoxybenzene;formic acid (CID 155731035) is 2-cyclohexyl-1-fluoro-4-methoxybenzene;formic acid.
What is the SMILES notation for 2-cyclohexyl-1-fluoro-4-methoxybenzene;formic acid?
The canonical SMILES for 2-cyclohexyl-1-fluoro-4-methoxybenzene;formic acid is COc1ccc(F)c(C2CCCCC2)c1.O=CO.
What is the InChIKey of 2-cyclohexyl-1-fluoro-4-methoxybenzene;formic acid?
The InChIKey is WOLHRJWQZPKVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO.CH2O2/c1-15-11-7-8-13(14)12(9-11)10-5-3-2-4-6-10;2-1-3/h7-10H,2-6H2,1H3;1H,(H,2,3).
What are the key properties of 2-cyclohexyl-1-fluoro-4-methoxybenzene;formic acid?
2-cyclohexyl-1-fluoro-4-methoxybenzene;formic acid has a molecular weight of 254.30 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-fluoro-4-methoxybenzene;formic acid is sourced from PubChem (CID 155731035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).