1-[(3-bromo-4-fluorophenyl)methyl]-3-methoxycyclobutan-1-ol

C12H14BrFO2 — CID 106823572

IUPAC1-[(3-bromo-4-fluorophenyl)methyl]-3-methoxycyclobutan-1-ol
SMILESCOC1CC(O)(Cc2ccc(F)c(Br)c2)C1
InChIInChI=1S/C12H14BrFO2/c1-16-9-6-12(15,7-9)5-8-2-3-11(14)10(13)4-8/h2-4,9,15H,5-7H2,1H3
InChIKeyAQHKPGJHPMRKOC-UHFFFAOYSA-N
MW289.14 g/mol
LogP2.67
Rot. Bonds3

About 1-[(3-bromo-4-fluorophenyl)methyl]-3-methoxycyclobutan-1-ol

1-[(3-bromo-4-fluorophenyl)methyl]-3-methoxycyclobutan-1-ol (PubChem CID 106823572) has the molecular formula C12H14BrFO2 and a molecular weight of 289.14 g/mol. Its IUPAC name is 1-[(3-bromo-4-fluorophenyl)methyl]-3-methoxycyclobutan-1-ol.

Molecular Properties

Compound Name1-[(3-bromo-4-fluorophenyl)methyl]-3-methoxycyclobutan-1-ol
PubChem CID106823572
Molecular FormulaC12H14BrFO2
Molecular Weight289.14 g/mol
Exact Mass288.02
IUPAC Name1-[(3-bromo-4-fluorophenyl)methyl]-3-methoxycyclobutan-1-ol
SMILESCOC1CC(O)(Cc2ccc(F)c(Br)c2)C1
InChIInChI=1S/C12H14BrFO2/c1-16-9-6-12(15,7-9)5-8-2-3-11(14)10(13)4-8/h2-4,9,15H,5-7H2,1H3
InChIKeyAQHKPGJHPMRKOC-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-bromo-4-fluorophenyl)methyl]-3-methylcyclohexan-1-ol
CID 54971162
3-methoxy-1-[(4-methylphenyl)methyl]cyclobutan-1-ol
CID 106823825
3-methoxy-1-[[4-(trifluoromethyl)phenyl]methyl]cyclobutan-1-ol
CID 106823679
1-[(3-bromo-4-fluorophenyl)methyl]-4-ethylcycloheptan-1-ol
CID 65086137
1-[(3,4-difluorophenyl)methyl]-3-methylcyclobutan-1-ol
CID 103564715
4-[(3-bromo-4-fluorophenyl)methyl]oxepan-4-ol
CID 65079646
1-[(3-bromo-4-methoxyphenyl)methyl]-3,5-dimethylcyclohexan-1-ol
CID 64735356
1-[2-(3-bromo-4-fluorophenyl)ethyl]-4-methoxypiperidine
CID 170456557
[1-[(3-bromo-4-fluorophenyl)methyl]cyclopropyl]methanol
CID 66024777
2-bromo-4-[[1-(chloromethyl)cyclopropyl]methyl]-1-fluorobenzene
CID 66033542
6-bromo-2-[(3-bromo-4-fluorophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol
CID 63630973
1-[(5-chloro-2-methoxyphenyl)methyl]-3-methoxycyclobutan-1-ol
CID 106823676

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromo-4-fluorophenyl)methyl]-3-methoxycyclobutan-1-ol?
The IUPAC name of 1-[(3-bromo-4-fluorophenyl)methyl]-3-methoxycyclobutan-1-ol (CID 106823572) is 1-[(3-bromo-4-fluorophenyl)methyl]-3-methoxycyclobutan-1-ol.
What is the SMILES notation for 1-[(3-bromo-4-fluorophenyl)methyl]-3-methoxycyclobutan-1-ol?
The canonical SMILES for 1-[(3-bromo-4-fluorophenyl)methyl]-3-methoxycyclobutan-1-ol is COC1CC(O)(Cc2ccc(F)c(Br)c2)C1.
What is the InChIKey of 1-[(3-bromo-4-fluorophenyl)methyl]-3-methoxycyclobutan-1-ol?
The InChIKey is AQHKPGJHPMRKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrFO2/c1-16-9-6-12(15,7-9)5-8-2-3-11(14)10(13)4-8/h2-4,9,15H,5-7H2,1H3.
What are the key properties of 1-[(3-bromo-4-fluorophenyl)methyl]-3-methoxycyclobutan-1-ol?
1-[(3-bromo-4-fluorophenyl)methyl]-3-methoxycyclobutan-1-ol has a molecular weight of 289.14 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromo-4-fluorophenyl)methyl]-3-methoxycyclobutan-1-ol is sourced from PubChem (CID 106823572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).