4-(3-bromo-1-hydroxypropyl)benzaldehyde

C10H11BrO2 — CID 141472310

IUPAC4-(3-bromo-1-hydroxypropyl)benzaldehyde
SMILESO=Cc1ccc(C(O)CCBr)cc1
InChIInChI=1S/C10H11BrO2/c11-6-5-10(13)9-3-1-8(7-12)2-4-9/h1-4,7,10,13H,5-6H2
InChIKeyGHRXGNRPCQFPRC-UHFFFAOYSA-N
MW243.10 g/mol
LogP2.32
Rot. Bonds4

About 4-(3-bromo-1-hydroxypropyl)benzaldehyde

4-(3-bromo-1-hydroxypropyl)benzaldehyde (PubChem CID 141472310) has the molecular formula C10H11BrO2 and a molecular weight of 243.10 g/mol. Its IUPAC name is 4-(3-bromo-1-hydroxypropyl)benzaldehyde.

Molecular Properties

Compound Name4-(3-bromo-1-hydroxypropyl)benzaldehyde
PubChem CID141472310
Molecular FormulaC10H11BrO2
Molecular Weight243.10 g/mol
Exact Mass241.99
IUPAC Name4-(3-bromo-1-hydroxypropyl)benzaldehyde
SMILESO=Cc1ccc(C(O)CCBr)cc1
InChIInChI=1S/C10H11BrO2/c11-6-5-10(13)9-3-1-8(7-12)2-4-9/h1-4,7,10,13H,5-6H2
InChIKeyGHRXGNRPCQFPRC-UHFFFAOYSA-N
XLogP2.32
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.10
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(4-formylphenyl)-5-hydroxypentanoic acid
CID 87602179
4-(1-hydroxyhexyl)benzaldehyde
CID 22246899
4-(1-hydroxybut-3-enyl)benzaldehyde
CID 86200229
4-[1-[4-[(1R)-1,2-dihydroxyethyl]phenyl]-2-oxopropyl]benzaldehyde
CID 174850169
4-(1,2-dibromoethyl)benzaldehyde
CID 86030216
3-(4-bromo-1,2-dihydroxybutyl)benzaldehyde
CID 171891629
4-(4-formylphenyl)pentanoic acid
CID 23962618
4-[hydroxy(phenyl)methyl]benzaldehyde
CID 11806006
4-[1-hydroxy-2-(2H-tetrazol-5-yl)ethyl]benzaldehyde
CID 18768906
4-[(1R)-1-hydroxyprop-2-ynyl]benzaldehyde
CID 93496079
4-(1-hydroxypropan-2-yl)benzaldehyde
CID 130131368
4-propan-2-ylbenzaldehyde
CID 326

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-1-hydroxypropyl)benzaldehyde?
The IUPAC name of 4-(3-bromo-1-hydroxypropyl)benzaldehyde (CID 141472310) is 4-(3-bromo-1-hydroxypropyl)benzaldehyde.
What is the SMILES notation for 4-(3-bromo-1-hydroxypropyl)benzaldehyde?
The canonical SMILES for 4-(3-bromo-1-hydroxypropyl)benzaldehyde is O=Cc1ccc(C(O)CCBr)cc1.
What is the InChIKey of 4-(3-bromo-1-hydroxypropyl)benzaldehyde?
The InChIKey is GHRXGNRPCQFPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO2/c11-6-5-10(13)9-3-1-8(7-12)2-4-9/h1-4,7,10,13H,5-6H2.
What are the key properties of 4-(3-bromo-1-hydroxypropyl)benzaldehyde?
4-(3-bromo-1-hydroxypropyl)benzaldehyde has a molecular weight of 243.10 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-1-hydroxypropyl)benzaldehyde is sourced from PubChem (CID 141472310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).