1-[(4-bromo-2-chlorophenyl)methyl]-3-methoxycyclobutan-1-ol

C12H14BrClO2 — CID 106823811

IUPAC1-[(4-bromo-2-chlorophenyl)methyl]-3-methoxycyclobutan-1-ol
SMILESCOC1CC(O)(Cc2ccc(Br)cc2Cl)C1
InChIInChI=1S/C12H14BrClO2/c1-16-10-6-12(15,7-10)5-8-2-3-9(13)4-11(8)14/h2-4,10,15H,5-7H2,1H3
InChIKeyGRRQAHAGHVDHLT-UHFFFAOYSA-N
MW305.60 g/mol
LogP3.18
Rot. Bonds3

About 1-[(4-bromo-2-chlorophenyl)methyl]-3-methoxycyclobutan-1-ol

1-[(4-bromo-2-chlorophenyl)methyl]-3-methoxycyclobutan-1-ol (PubChem CID 106823811) has the molecular formula C12H14BrClO2 and a molecular weight of 305.60 g/mol. Its IUPAC name is 1-[(4-bromo-2-chlorophenyl)methyl]-3-methoxycyclobutan-1-ol.

Molecular Properties

Compound Name1-[(4-bromo-2-chlorophenyl)methyl]-3-methoxycyclobutan-1-ol
PubChem CID106823811
Molecular FormulaC12H14BrClO2
Molecular Weight305.60 g/mol
Exact Mass303.99
IUPAC Name1-[(4-bromo-2-chlorophenyl)methyl]-3-methoxycyclobutan-1-ol
SMILESCOC1CC(O)(Cc2ccc(Br)cc2Cl)C1
InChIInChI=1S/C12H14BrClO2/c1-16-10-6-12(15,7-10)5-8-2-3-9(13)4-11(8)14/h2-4,10,15H,5-7H2,1H3
InChIKeyGRRQAHAGHVDHLT-UHFFFAOYSA-N
XLogP3.18
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.60
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-bromo-2-chlorophenyl)methyl]-4,4-dimethylcyclohexan-1-ol
CID 113471149
1-[(2-chloro-4-fluorophenyl)methyl]-3-methoxycyclohexan-1-ol
CID 106873962
1-[(5-chloro-2-methoxyphenyl)methyl]-3-methoxycyclobutan-1-ol
CID 106823676
N-[(4-bromo-2-chlorophenyl)methyl]-3-methoxycyclobutan-1-amine
CID 104588029
1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylcyclohexan-1-ol
CID 65154379
1-[(3-bromo-4-fluorophenyl)methyl]-3-methoxycyclobutan-1-ol
CID 106823572
3-[(4-bromo-2-chlorophenyl)methoxy]oxetane
CID 102607207
1-[(2-chloro-4-methylphenyl)methyl]cyclopentan-1-ol
CID 106866034
1-[(4-bromo-2-chlorophenyl)methyl]cycloheptan-1-amine
CID 113471164
N-[[1-[(4-bromo-2-chlorophenyl)methyl]cyclobutyl]methyl]propan-2-amine
CID 113471460
1-[(4-bromo-2-methylphenyl)methyl]cyclopropan-1-ol
CID 117354310
[3-[(4-bromo-2-chlorophenyl)methyl]-2-methyloxolan-3-yl]methanamine
CID 114534026

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromo-2-chlorophenyl)methyl]-3-methoxycyclobutan-1-ol?
The IUPAC name of 1-[(4-bromo-2-chlorophenyl)methyl]-3-methoxycyclobutan-1-ol (CID 106823811) is 1-[(4-bromo-2-chlorophenyl)methyl]-3-methoxycyclobutan-1-ol.
What is the SMILES notation for 1-[(4-bromo-2-chlorophenyl)methyl]-3-methoxycyclobutan-1-ol?
The canonical SMILES for 1-[(4-bromo-2-chlorophenyl)methyl]-3-methoxycyclobutan-1-ol is COC1CC(O)(Cc2ccc(Br)cc2Cl)C1.
What is the InChIKey of 1-[(4-bromo-2-chlorophenyl)methyl]-3-methoxycyclobutan-1-ol?
The InChIKey is GRRQAHAGHVDHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrClO2/c1-16-10-6-12(15,7-10)5-8-2-3-9(13)4-11(8)14/h2-4,10,15H,5-7H2,1H3.
What are the key properties of 1-[(4-bromo-2-chlorophenyl)methyl]-3-methoxycyclobutan-1-ol?
1-[(4-bromo-2-chlorophenyl)methyl]-3-methoxycyclobutan-1-ol has a molecular weight of 305.60 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromo-2-chlorophenyl)methyl]-3-methoxycyclobutan-1-ol is sourced from PubChem (CID 106823811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).