(2,5-difluorophenyl)-(1-methoxycycloheptyl)methanol

C15H20F2O2 — CID 116756000

IUPAC(2,5-difluorophenyl)-(1-methoxycycloheptyl)methanol
SMILESCOC1(C(O)c2cc(F)ccc2F)CCCCCC1
InChIInChI=1S/C15H20F2O2/c1-19-15(8-4-2-3-5-9-15)14(18)12-10-11(16)6-7-13(12)17/h6-7,10,14,18H,2-5,8-9H2,1H3
InChIKeyICWRBRYVHVNPOE-UHFFFAOYSA-N
MW270.32 g/mol
LogP3.74
Rot. Bonds3

About (2,5-difluorophenyl)-(1-methoxycycloheptyl)methanol

(2,5-difluorophenyl)-(1-methoxycycloheptyl)methanol (PubChem CID 116756000) has the molecular formula C15H20F2O2 and a molecular weight of 270.32 g/mol. Its IUPAC name is (2,5-difluorophenyl)-(1-methoxycycloheptyl)methanol.

Molecular Properties

Compound Name(2,5-difluorophenyl)-(1-methoxycycloheptyl)methanol
PubChem CID116756000
Molecular FormulaC15H20F2O2
Molecular Weight270.32 g/mol
Exact Mass270.14
IUPAC Name(2,5-difluorophenyl)-(1-methoxycycloheptyl)methanol
SMILESCOC1(C(O)c2cc(F)ccc2F)CCCCCC1
InChIInChI=1S/C15H20F2O2/c1-19-15(8-4-2-3-5-9-15)14(18)12-10-11(16)6-7-13(12)17/h6-7,10,14,18H,2-5,8-9H2,1H3
InChIKeyICWRBRYVHVNPOE-UHFFFAOYSA-N
XLogP3.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2,5-difluorophenyl)-(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-methoxycycloheptyl)methanol
CID 116755788
(2,5-dichlorophenyl)-(1-methoxycyclopentyl)methanol
CID 104610351
(5-fluoro-2-methylphenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanol
CID 116755728
(2-fluoro-4-methoxyphenyl)-(1-methoxycyclopentyl)methanol
CID 103395478
1-[(2,5-difluorophenyl)-hydroxymethyl]cyclohexane-1-carbonitrile
CID 79132900
(4-chloro-2-fluorophenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanol
CID 116755605
(5-chloro-2-methoxyphenyl)-(1-methoxycycloheptyl)methanol
CID 116756025
(3-fluoro-4-methylphenyl)-(1-methoxycyclopentyl)methanol
CID 107128604
(2,4-difluorophenyl)-(1-methoxycycloheptyl)methanamine
CID 116769928
(2-fluoro-3-methoxyphenyl)-(1-methoxycyclopentyl)methanol
CID 104610503
(2-chloro-5-fluorophenyl)-(1-ethoxycyclohexyl)methanol
CID 105394608
(2,4-difluorophenyl)-(1-methoxy-3-methylcyclohexyl)methanol
CID 116754991

Frequently Asked Questions

What is the IUPAC name of (2,5-difluorophenyl)-(1-methoxycycloheptyl)methanol?
The IUPAC name of (2,5-difluorophenyl)-(1-methoxycycloheptyl)methanol (CID 116756000) is (2,5-difluorophenyl)-(1-methoxycycloheptyl)methanol.
What is the SMILES notation for (2,5-difluorophenyl)-(1-methoxycycloheptyl)methanol?
The canonical SMILES for (2,5-difluorophenyl)-(1-methoxycycloheptyl)methanol is COC1(C(O)c2cc(F)ccc2F)CCCCCC1.
What is the InChIKey of (2,5-difluorophenyl)-(1-methoxycycloheptyl)methanol?
The InChIKey is ICWRBRYVHVNPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2O2/c1-19-15(8-4-2-3-5-9-15)14(18)12-10-11(16)6-7-13(12)17/h6-7,10,14,18H,2-5,8-9H2,1H3.
What are the key properties of (2,5-difluorophenyl)-(1-methoxycycloheptyl)methanol?
(2,5-difluorophenyl)-(1-methoxycycloheptyl)methanol has a molecular weight of 270.32 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-difluorophenyl)-(1-methoxycycloheptyl)methanol is sourced from PubChem (CID 116756000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).