(3-bromo-2-fluorophenyl)-(1-methoxycyclobutyl)methanol

C12H14BrFO2 — CID 106645189

IUPAC(3-bromo-2-fluorophenyl)-(1-methoxycyclobutyl)methanol
SMILESCOC1(C(O)c2cccc(Br)c2F)CCC1
InChIInChI=1S/C12H14BrFO2/c1-16-12(6-3-7-12)11(15)8-4-2-5-9(13)10(8)14/h2,4-5,11,15H,3,6-7H2,1H3
InChIKeyNESKVOYVSRFGDO-UHFFFAOYSA-N
MW289.14 g/mol
LogP3.19
Rot. Bonds3

About (3-bromo-2-fluorophenyl)-(1-methoxycyclobutyl)methanol

(3-bromo-2-fluorophenyl)-(1-methoxycyclobutyl)methanol (PubChem CID 106645189) has the molecular formula C12H14BrFO2 and a molecular weight of 289.14 g/mol. Its IUPAC name is (3-bromo-2-fluorophenyl)-(1-methoxycyclobutyl)methanol.

Molecular Properties

Compound Name(3-bromo-2-fluorophenyl)-(1-methoxycyclobutyl)methanol
PubChem CID106645189
Molecular FormulaC12H14BrFO2
Molecular Weight289.14 g/mol
Exact Mass288.02
IUPAC Name(3-bromo-2-fluorophenyl)-(1-methoxycyclobutyl)methanol
SMILESCOC1(C(O)c2cccc(Br)c2F)CCC1
InChIInChI=1S/C12H14BrFO2/c1-16-12(6-3-7-12)11(15)8-4-2-5-9(13)10(8)14/h2,4-5,11,15H,3,6-7H2,1H3
InChIKeyNESKVOYVSRFGDO-UHFFFAOYSA-N
XLogP3.19
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.14
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3-bromo-2-fluorophenyl)-(1-methoxycyclobutyl)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

(3-bromo-2-fluorophenyl)-(1-methoxycyclobutyl)methanamine
CID 106646099
(2-fluoro-3-methoxyphenyl)-(1-methoxycyclopentyl)methanol
CID 104610503
(3-bromo-2-fluorophenyl)-(1-methylcyclohexyl)methanol
CID 106831073
(2-fluorophenyl)-(1-methoxycycloheptyl)methanol
CID 116755788
(2,3-dimethylphenyl)-(1-methoxycycloheptyl)methanol
CID 116755970
(2-chlorophenyl)-(1-methoxycyclopentyl)methanol
CID 104610373
(1-ethoxycyclohexyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 116753675
(2,3-difluorophenyl)-(1-ethoxycyclohexyl)methanol
CID 116753674
1-(3-bromo-2-fluorophenyl)-1-(1-ethoxycyclohexyl)-N-methylmethanamine
CID 106646157
1-(3-bromo-2-fluorophenyl)-1-(1-ethoxycycloheptyl)-N-methylmethanamine
CID 106646181
(3-bromo-2-fluorophenyl)-(2,2-dimethylcyclopentyl)methanol
CID 107193133
methyl 2-(3-bromo-2-fluorophenyl)-2-hydroxyacetate
CID 106644466

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-fluorophenyl)-(1-methoxycyclobutyl)methanol?
The IUPAC name of (3-bromo-2-fluorophenyl)-(1-methoxycyclobutyl)methanol (CID 106645189) is (3-bromo-2-fluorophenyl)-(1-methoxycyclobutyl)methanol.
What is the SMILES notation for (3-bromo-2-fluorophenyl)-(1-methoxycyclobutyl)methanol?
The canonical SMILES for (3-bromo-2-fluorophenyl)-(1-methoxycyclobutyl)methanol is COC1(C(O)c2cccc(Br)c2F)CCC1.
What is the InChIKey of (3-bromo-2-fluorophenyl)-(1-methoxycyclobutyl)methanol?
The InChIKey is NESKVOYVSRFGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrFO2/c1-16-12(6-3-7-12)11(15)8-4-2-5-9(13)10(8)14/h2,4-5,11,15H,3,6-7H2,1H3.
What are the key properties of (3-bromo-2-fluorophenyl)-(1-methoxycyclobutyl)methanol?
(3-bromo-2-fluorophenyl)-(1-methoxycyclobutyl)methanol has a molecular weight of 289.14 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-fluorophenyl)-(1-methoxycyclobutyl)methanol is sourced from PubChem (CID 106645189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).