1-[(4-bromo-2-methylphenyl)methyl]cyclopropan-1-ol

C11H13BrO — CID 117354310

IUPAC1-[(4-bromo-2-methylphenyl)methyl]cyclopropan-1-ol
SMILESCc1cc(Br)ccc1CC1(O)CC1
InChIInChI=1S/C11H13BrO/c1-8-6-10(12)3-2-9(8)7-11(13)4-5-11/h2-3,6,13H,4-5,7H2,1H3
InChIKeyWPECCOHQRIAUGL-UHFFFAOYSA-N
MW241.13 g/mol
LogP2.82
Rot. Bonds2

About 1-[(4-bromo-2-methylphenyl)methyl]cyclopropan-1-ol

1-[(4-bromo-2-methylphenyl)methyl]cyclopropan-1-ol (PubChem CID 117354310) has the molecular formula C11H13BrO and a molecular weight of 241.13 g/mol. Its IUPAC name is 1-[(4-bromo-2-methylphenyl)methyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[(4-bromo-2-methylphenyl)methyl]cyclopropan-1-ol
PubChem CID117354310
Molecular FormulaC11H13BrO
Molecular Weight241.13 g/mol
Exact Mass240.01
IUPAC Name1-[(4-bromo-2-methylphenyl)methyl]cyclopropan-1-ol
SMILESCc1cc(Br)ccc1CC1(O)CC1
InChIInChI=1S/C11H13BrO/c1-8-6-10(12)3-2-9(8)7-11(13)4-5-11/h2-3,6,13H,4-5,7H2,1H3
InChIKeyWPECCOHQRIAUGL-UHFFFAOYSA-N
XLogP2.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.13
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(4-bromo-2-chlorophenyl)methyl]-4,4-dimethylcyclohexan-1-ol
CID 113471149
1-[(4-bromo-2-fluorophenyl)methyl]-4,4-dimethylcycloheptan-1-ol
CID 65151955
(4-bromo-2-methylphenyl)methanamine;methanol
CID 142518771
1-[(4-bromo-2-fluorophenyl)methyl]-4-ethylcyclohexan-1-ol
CID 65147432
N-[(4-bromo-2-methylphenyl)methyl]hydroxylamine
CID 54220149
1-[(5-bromo-2-fluorophenyl)methyl]cycloheptan-1-ol
CID 65147295
1-[(2-bromo-4-chlorophenyl)methyl]cyclopropan-1-ol
CID 117408877
4-bromo-1-(2-iodoethyl)-2-methylbenzene
CID 66577923
1-[(2-chloro-4-methylphenyl)methyl]cyclopentan-1-ol
CID 106866034
1-[(4-bromo-2-fluorophenyl)methyl]-3,3-dimethylcyclohexan-1-ol
CID 65149503
1-[[2-(4-bromo-2-methylphenyl)acetyl]amino]cyclobutane-1-carboxylic acid
CID 120530997
1-[(2-bromo-5-fluorophenyl)methyl]cyclopropan-1-ol
CID 117364001

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromo-2-methylphenyl)methyl]cyclopropan-1-ol?
The IUPAC name of 1-[(4-bromo-2-methylphenyl)methyl]cyclopropan-1-ol (CID 117354310) is 1-[(4-bromo-2-methylphenyl)methyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[(4-bromo-2-methylphenyl)methyl]cyclopropan-1-ol?
The canonical SMILES for 1-[(4-bromo-2-methylphenyl)methyl]cyclopropan-1-ol is Cc1cc(Br)ccc1CC1(O)CC1.
What is the InChIKey of 1-[(4-bromo-2-methylphenyl)methyl]cyclopropan-1-ol?
The InChIKey is WPECCOHQRIAUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO/c1-8-6-10(12)3-2-9(8)7-11(13)4-5-11/h2-3,6,13H,4-5,7H2,1H3.
What are the key properties of 1-[(4-bromo-2-methylphenyl)methyl]cyclopropan-1-ol?
1-[(4-bromo-2-methylphenyl)methyl]cyclopropan-1-ol has a molecular weight of 241.13 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromo-2-methylphenyl)methyl]cyclopropan-1-ol is sourced from PubChem (CID 117354310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).