(2-fluorophenyl)-(1-methoxycycloheptyl)methanol

C15H21FO2 — CID 116755788

IUPAC(2-fluorophenyl)-(1-methoxycycloheptyl)methanol
SMILESCOC1(C(O)c2ccccc2F)CCCCCC1
InChIInChI=1S/C15H21FO2/c1-18-15(10-6-2-3-7-11-15)14(17)12-8-4-5-9-13(12)16/h4-5,8-9,14,17H,2-3,6-7,10-11H2,1H3
InChIKeyQPGAFUAYPNKIPR-UHFFFAOYSA-N
MW252.33 g/mol
LogP3.60
Rot. Bonds3

About (2-fluorophenyl)-(1-methoxycycloheptyl)methanol

(2-fluorophenyl)-(1-methoxycycloheptyl)methanol (PubChem CID 116755788) has the molecular formula C15H21FO2 and a molecular weight of 252.33 g/mol. Its IUPAC name is (2-fluorophenyl)-(1-methoxycycloheptyl)methanol.

Molecular Properties

Compound Name(2-fluorophenyl)-(1-methoxycycloheptyl)methanol
PubChem CID116755788
Molecular FormulaC15H21FO2
Molecular Weight252.33 g/mol
Exact Mass252.15
IUPAC Name(2-fluorophenyl)-(1-methoxycycloheptyl)methanol
SMILESCOC1(C(O)c2ccccc2F)CCCCCC1
InChIInChI=1S/C15H21FO2/c1-18-15(10-6-2-3-7-11-15)14(17)12-8-4-5-9-13(12)16/h4-5,8-9,14,17H,2-3,6-7,10-11H2,1H3
InChIKeyQPGAFUAYPNKIPR-UHFFFAOYSA-N
XLogP3.60
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2-fluorophenyl)-(1-methoxycycloheptyl)methanol with MolForge

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

Launch Full Analysis

Related Compounds

(2-fluorophenyl)-(1-methoxy-4-methylcyclohexyl)methanol
CID 116754393
(2,5-difluorophenyl)-(1-methoxycycloheptyl)methanol
CID 116756000
(2-chlorophenyl)-(1-methoxycyclopentyl)methanol
CID 104610373
(2-fluoro-3-methoxyphenyl)-(1-methoxycyclopentyl)methanol
CID 104610503
(2-fluoro-4-methoxyphenyl)-(1-methoxycyclopentyl)methanol
CID 103395478
[(2-fluorophenyl)-(1-methoxycyclohexyl)methyl]hydrazine
CID 105275988
(2,3-dimethylphenyl)-(1-methoxycycloheptyl)methanol
CID 116755970
(1-methoxycyclohexyl)-phenylmethanol
CID 116753267
(5-chloro-2-methoxyphenyl)-(1-methoxycycloheptyl)methanol
CID 116756025
(3-bromo-2-fluorophenyl)-(1-methoxycyclobutyl)methanol
CID 106645189
(1-methoxycyclohexyl)-(2-methoxy-5-methylphenyl)methanol
CID 116753417
(1-methoxycyclohexyl)-[2-(2-methoxyethoxy)phenyl]methanol
CID 116753305

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-(1-methoxycycloheptyl)methanol?
The IUPAC name of (2-fluorophenyl)-(1-methoxycycloheptyl)methanol (CID 116755788) is (2-fluorophenyl)-(1-methoxycycloheptyl)methanol.
What is the SMILES notation for (2-fluorophenyl)-(1-methoxycycloheptyl)methanol?
The canonical SMILES for (2-fluorophenyl)-(1-methoxycycloheptyl)methanol is COC1(C(O)c2ccccc2F)CCCCCC1.
What is the InChIKey of (2-fluorophenyl)-(1-methoxycycloheptyl)methanol?
The InChIKey is QPGAFUAYPNKIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FO2/c1-18-15(10-6-2-3-7-11-15)14(17)12-8-4-5-9-13(12)16/h4-5,8-9,14,17H,2-3,6-7,10-11H2,1H3.
What are the key properties of (2-fluorophenyl)-(1-methoxycycloheptyl)methanol?
(2-fluorophenyl)-(1-methoxycycloheptyl)methanol has a molecular weight of 252.33 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-(1-methoxycycloheptyl)methanol is sourced from PubChem (CID 116755788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).