1-(2,5-difluoro-4-methylphenyl)-2-(1-methoxycyclobutyl)ethanol

C14H18F2O2 — CID 103557600

IUPAC1-(2,5-difluoro-4-methylphenyl)-2-(1-methoxycyclobutyl)ethanol
SMILESCOC1(CC(O)c2cc(F)c(C)cc2F)CCC1
InChIInChI=1S/C14H18F2O2/c1-9-6-12(16)10(7-11(9)15)13(17)8-14(18-2)4-3-5-14/h6-7,13,17H,3-5,8H2,1-2H3
InChIKeyXJZUHYIPASMLRC-UHFFFAOYSA-N
MW256.29 g/mol
LogP3.27
Rot. Bonds4

About 1-(2,5-difluoro-4-methylphenyl)-2-(1-methoxycyclobutyl)ethanol

1-(2,5-difluoro-4-methylphenyl)-2-(1-methoxycyclobutyl)ethanol (PubChem CID 103557600) has the molecular formula C14H18F2O2 and a molecular weight of 256.29 g/mol. Its IUPAC name is 1-(2,5-difluoro-4-methylphenyl)-2-(1-methoxycyclobutyl)ethanol.

Molecular Properties

Compound Name1-(2,5-difluoro-4-methylphenyl)-2-(1-methoxycyclobutyl)ethanol
PubChem CID103557600
Molecular FormulaC14H18F2O2
Molecular Weight256.29 g/mol
Exact Mass256.13
IUPAC Name1-(2,5-difluoro-4-methylphenyl)-2-(1-methoxycyclobutyl)ethanol
SMILESCOC1(CC(O)c2cc(F)c(C)cc2F)CCC1
InChIInChI=1S/C14H18F2O2/c1-9-6-12(16)10(7-11(9)15)13(17)8-14(18-2)4-3-5-14/h6-7,13,17H,3-5,8H2,1-2H3
InChIKeyXJZUHYIPASMLRC-UHFFFAOYSA-N
XLogP3.27
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.29
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,5-difluoro-4-methylphenyl)-2-(1-methoxycyclobutyl)ethanol 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

1-(4,5-dimethoxy-2-methylphenyl)-2-(1-methoxycyclobutyl)ethanol
CID 103557562
4-[1-chloro-2-(1-methoxycyclobutyl)ethyl]-1-fluoro-2-methylbenzene
CID 103557830
1-(2-chloro-4-fluoro-5-methylphenyl)-2-(1-methoxycyclobutyl)-N-methylethanamine
CID 103556454
(1S)-2-amino-1-(2,5-difluoro-4-methylphenyl)ethanol
CID 83001188
1-(2,5-dichloro-4-methoxyphenyl)-2-(1-methoxycyclobutyl)ethanol
CID 103557615
1-(4-chlorophenyl)-2-(1-methoxycyclobutyl)ethanol
CID 103557502
1-(4-bromo-2,5-difluorophenyl)-2-(1-methoxycyclobutyl)-N-methylethanamine
CID 103556380
N-[1-(4-fluoro-3-methylphenyl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine
CID 103556420
3-amino-1-(2,5-difluoro-4-methylphenyl)-4-methoxybutan-1-ol
CID 112629952
1-[1-bromo-2-(1-methoxycyclobutyl)ethyl]-2-fluoro-4-methoxybenzene
CID 103557775
1-(2-chloro-4-fluoro-5-methylphenyl)-2-(1-methoxycyclobutyl)ethanone
CID 103556008
1-(4-bromophenyl)-2-(1-methoxycyclobutyl)ethanol
CID 103557499

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluoro-4-methylphenyl)-2-(1-methoxycyclobutyl)ethanol?
The IUPAC name of 1-(2,5-difluoro-4-methylphenyl)-2-(1-methoxycyclobutyl)ethanol (CID 103557600) is 1-(2,5-difluoro-4-methylphenyl)-2-(1-methoxycyclobutyl)ethanol.
What is the SMILES notation for 1-(2,5-difluoro-4-methylphenyl)-2-(1-methoxycyclobutyl)ethanol?
The canonical SMILES for 1-(2,5-difluoro-4-methylphenyl)-2-(1-methoxycyclobutyl)ethanol is COC1(CC(O)c2cc(F)c(C)cc2F)CCC1.
What is the InChIKey of 1-(2,5-difluoro-4-methylphenyl)-2-(1-methoxycyclobutyl)ethanol?
The InChIKey is XJZUHYIPASMLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2O2/c1-9-6-12(16)10(7-11(9)15)13(17)8-14(18-2)4-3-5-14/h6-7,13,17H,3-5,8H2,1-2H3.
What are the key properties of 1-(2,5-difluoro-4-methylphenyl)-2-(1-methoxycyclobutyl)ethanol?
1-(2,5-difluoro-4-methylphenyl)-2-(1-methoxycyclobutyl)ethanol has a molecular weight of 256.29 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluoro-4-methylphenyl)-2-(1-methoxycyclobutyl)ethanol is sourced from PubChem (CID 103557600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).