3-(3-bromophenyl)propan-1-ol

C9H11BrO — CID 18785928

IUPAC3-(3-bromophenyl)propan-1-ol
SMILESOCCCc1cccc(Br)c1
InChIInChI=1S/C9H11BrO/c10-9-5-1-3-8(7-9)4-2-6-11/h1,3,5,7,11H,2,4,6H2
InChIKeyGZLHIYBVSFUPND-UHFFFAOYSA-N
MW215.09 g/mol
LogP2.37
Rot. Bonds3

About 3-(3-bromophenyl)propan-1-ol

3-(3-bromophenyl)propan-1-ol (PubChem CID 18785928) has the molecular formula C9H11BrO and a molecular weight of 215.09 g/mol. Its IUPAC name is 3-(3-bromophenyl)propan-1-ol.

Molecular Properties

Compound Name3-(3-bromophenyl)propan-1-ol
PubChem CID18785928
Molecular FormulaC9H11BrO
Molecular Weight215.09 g/mol
Exact Mass214.00
IUPAC Name3-(3-bromophenyl)propan-1-ol
SMILESOCCCc1cccc(Br)c1
InChIInChI=1S/C9H11BrO/c10-9-5-1-3-8(7-9)4-2-6-11/h1,3,5,7,11H,2,4,6H2
InChIKeyGZLHIYBVSFUPND-UHFFFAOYSA-N
XLogP2.37
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.09
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Benzenepropanol
CID 31234
(3-Bromophenyl)(phenyl)methanol
CID 285827
2-(4-Bromophenyl)ethanol
CID 72851
3-Bromobenzyl alcohol
CID 85141
1-(3-Bromophenyl)ethanol
CID 98479
3-(2-Bromophenyl)propan-1-ol
CID 10512846
2-(2-Bromophenyl)ethan-1-ol
CID 2734089
(1R)-1-(3-bromophenyl)ethan-1-ol
CID 2734889
(1S)-1-(3-bromophenyl)ethan-1-ol
CID 6951261
3-(4-Bromophenyl)propan-1-ol
CID 10560614
(5-Bromo-2-iodophenyl)methanol
CID 15339730
1-Bromo-4-(2-methoxyethyl)benzene
CID 21995717

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)propan-1-ol?
The IUPAC name of 3-(3-bromophenyl)propan-1-ol (CID 18785928) is 3-(3-bromophenyl)propan-1-ol.
What is the SMILES notation for 3-(3-bromophenyl)propan-1-ol?
The canonical SMILES for 3-(3-bromophenyl)propan-1-ol is OCCCc1cccc(Br)c1.
What is the InChIKey of 3-(3-bromophenyl)propan-1-ol?
The InChIKey is GZLHIYBVSFUPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrO/c10-9-5-1-3-8(7-9)4-2-6-11/h1,3,5,7,11H,2,4,6H2.
What are the key properties of 3-(3-bromophenyl)propan-1-ol?
3-(3-bromophenyl)propan-1-ol has a molecular weight of 215.09 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)propan-1-ol is sourced from PubChem (CID 18785928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).