1-[4-(bromomethyl)phenyl]cyclopropan-1-ol

C10H11BrO — CID 131145025

IUPAC1-[4-(bromomethyl)phenyl]cyclopropan-1-ol
SMILESOC1(c2ccc(CBr)cc2)CC1
InChIInChI=1S/C10H11BrO/c11-7-8-1-3-9(4-2-8)10(12)5-6-10/h1-4,12H,5-7H2
InChIKeyNTGNRNQDLCKOHS-UHFFFAOYSA-N
MW227.10 g/mol
LogP2.56
Rot. Bonds2

About 1-[4-(bromomethyl)phenyl]cyclopropan-1-ol

1-[4-(bromomethyl)phenyl]cyclopropan-1-ol (PubChem CID 131145025) has the molecular formula C10H11BrO and a molecular weight of 227.10 g/mol. Its IUPAC name is 1-[4-(bromomethyl)phenyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[4-(bromomethyl)phenyl]cyclopropan-1-ol
PubChem CID131145025
Molecular FormulaC10H11BrO
Molecular Weight227.10 g/mol
Exact Mass226.00
IUPAC Name1-[4-(bromomethyl)phenyl]cyclopropan-1-ol
SMILESOC1(c2ccc(CBr)cc2)CC1
InChIInChI=1S/C10H11BrO/c11-7-8-1-3-9(4-2-8)10(12)5-6-10/h1-4,12H,5-7H2
InChIKeyNTGNRNQDLCKOHS-UHFFFAOYSA-N
XLogP2.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.10
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(bromomethyl)-4-(1-fluorocyclopropyl)benzene
CID 165403155
ethane;1-(4-methylphenyl)cyclopropan-1-ol
CID 178045850
1-[4-(2-hydroxy-2-methylpropyl)phenyl]cyclopropan-1-ol
CID 117117351
1-[4-(2-methoxyethyl)phenyl]cyclopropan-1-ol
CID 117283102
1-[4-(methylsulfonylmethyl)phenyl]cyclopropan-1-ol
CID 117325645
1-[4-(2-amino-2-methylpropyl)phenyl]cyclopropan-1-ol
CID 117111968
1-(4-aminophenyl)cyclopropan-1-ol
CID 84649311
1,4-bis(4-fluorophenyl)cyclohexane-1,4-diol
CID 10709619
1-(4-propylphenyl)cyclobutan-1-ol
CID 79080570
1-(4-propylphenyl)cyclopentan-1-ol
CID 62802063
1-[4-(bromomethyl)phenyl]cyclopentane-1-carbonitrile
CID 54110303
4-(4-ethylphenyl)oxan-4-ol
CID 63222829

Frequently Asked Questions

What is the IUPAC name of 1-[4-(bromomethyl)phenyl]cyclopropan-1-ol?
The IUPAC name of 1-[4-(bromomethyl)phenyl]cyclopropan-1-ol (CID 131145025) is 1-[4-(bromomethyl)phenyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[4-(bromomethyl)phenyl]cyclopropan-1-ol?
The canonical SMILES for 1-[4-(bromomethyl)phenyl]cyclopropan-1-ol is OC1(c2ccc(CBr)cc2)CC1.
What is the InChIKey of 1-[4-(bromomethyl)phenyl]cyclopropan-1-ol?
The InChIKey is NTGNRNQDLCKOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO/c11-7-8-1-3-9(4-2-8)10(12)5-6-10/h1-4,12H,5-7H2.
What are the key properties of 1-[4-(bromomethyl)phenyl]cyclopropan-1-ol?
1-[4-(bromomethyl)phenyl]cyclopropan-1-ol has a molecular weight of 227.10 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(bromomethyl)phenyl]cyclopropan-1-ol is sourced from PubChem (CID 131145025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).