3-[3-(bromomethyl)phenyl]propan-1-ol

C10H13BrO — CID 139754880

IUPAC3-[3-(bromomethyl)phenyl]propan-1-ol
SMILESOCCCc1cccc(CBr)c1
InChIInChI=1S/C10H13BrO/c11-8-10-4-1-3-9(7-10)5-2-6-12/h1,3-4,7,12H,2,5-6,8H2
InChIKeyMSCISROMSIGILC-UHFFFAOYSA-N
MW229.12 g/mol
LogP2.51
Rot. Bonds4

About 3-[3-(bromomethyl)phenyl]propan-1-ol

3-[3-(bromomethyl)phenyl]propan-1-ol (PubChem CID 139754880) has the molecular formula C10H13BrO and a molecular weight of 229.12 g/mol. Its IUPAC name is 3-[3-(bromomethyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name3-[3-(bromomethyl)phenyl]propan-1-ol
PubChem CID139754880
Molecular FormulaC10H13BrO
Molecular Weight229.12 g/mol
Exact Mass228.01
IUPAC Name3-[3-(bromomethyl)phenyl]propan-1-ol
SMILESOCCCc1cccc(CBr)c1
InChIInChI=1S/C10H13BrO/c11-8-10-4-1-3-9(7-10)5-2-6-12/h1,3-4,7,12H,2,5-6,8H2
InChIKeyMSCISROMSIGILC-UHFFFAOYSA-N
XLogP2.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.12
LogP ≤ 52.51
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

3-[3-(3-aminopropyl)phenyl]propan-1-ol
CID 42610454
3-(3-aminophenyl)propan-1-ol
CID 10103334
1-(bromomethyl)-3-(3-methoxypropyl)benzene
CID 59382337
3-[3-(methoxymethyl)phenyl]propan-1-ol
CID 117278462
2-[3-(2-bromoethyl)phenyl]ethanol
CID 58168543
1,3-bis(3-bromopropyl)benzene;ethane
CID 155596477
2-[3-(5-phenylpentyl)phenyl]ethanol
CID 19755656
3-(4-hydroxybutyl)phenol
CID 19991537
3-(3-nitrosophenyl)propan-1-ol
CID 89053704
3-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 18755618
[3-(4-hydroxybutyl)phenyl]methyl 2-bromoacetate
CID 87214658
[3-(2-bromoethyl)phenyl]methanol
CID 86049063

Frequently Asked Questions

What is the IUPAC name of 3-[3-(bromomethyl)phenyl]propan-1-ol?
The IUPAC name of 3-[3-(bromomethyl)phenyl]propan-1-ol (CID 139754880) is 3-[3-(bromomethyl)phenyl]propan-1-ol.
What is the SMILES notation for 3-[3-(bromomethyl)phenyl]propan-1-ol?
The canonical SMILES for 3-[3-(bromomethyl)phenyl]propan-1-ol is OCCCc1cccc(CBr)c1.
What is the InChIKey of 3-[3-(bromomethyl)phenyl]propan-1-ol?
The InChIKey is MSCISROMSIGILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrO/c11-8-10-4-1-3-9(7-10)5-2-6-12/h1,3-4,7,12H,2,5-6,8H2.
What are the key properties of 3-[3-(bromomethyl)phenyl]propan-1-ol?
3-[3-(bromomethyl)phenyl]propan-1-ol has a molecular weight of 229.12 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(bromomethyl)phenyl]propan-1-ol is sourced from PubChem (CID 139754880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).