[3-bromo-4-(3-bromopropyl)phenyl]methanol

C10H12Br2O — CID 134625359

IUPAC[3-bromo-4-(3-bromopropyl)phenyl]methanol
SMILESOCc1ccc(CCCBr)c(Br)c1
InChIInChI=1S/C10H12Br2O/c11-5-1-2-9-4-3-8(7-13)6-10(9)12/h3-4,6,13H,1-2,5,7H2
InChIKeyIUPJKGWREQCELT-UHFFFAOYSA-N
MW308.01 g/mol
LogP3.27
Rot. Bonds4

About [3-bromo-4-(3-bromopropyl)phenyl]methanol

[3-bromo-4-(3-bromopropyl)phenyl]methanol (PubChem CID 134625359) has the molecular formula C10H12Br2O and a molecular weight of 308.01 g/mol. Its IUPAC name is [3-bromo-4-(3-bromopropyl)phenyl]methanol.

Molecular Properties

Compound Name[3-bromo-4-(3-bromopropyl)phenyl]methanol
PubChem CID134625359
Molecular FormulaC10H12Br2O
Molecular Weight308.01 g/mol
Exact Mass305.93
IUPAC Name[3-bromo-4-(3-bromopropyl)phenyl]methanol
SMILESOCc1ccc(CCCBr)c(Br)c1
InChIInChI=1S/C10H12Br2O/c11-5-1-2-9-4-3-8(7-13)6-10(9)12/h3-4,6,13H,1-2,5,7H2
InChIKeyIUPJKGWREQCELT-UHFFFAOYSA-N
XLogP3.27
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.01
LogP ≤ 53.27
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

2-Bromobenzyl alcohol
CID 72850
(3-Bromophenyl)(phenyl)methanol
CID 285827
3-Bromobenzyl alcohol
CID 85141
1-(2-Bromophenyl)ethanol
CID 95455
1-(3-Bromophenyl)ethanol
CID 98479
2-(2-Bromophenyl)propan-2-ol
CID 329527
(2-Bromo-4-fluorophenyl)methanol
CID 2773347
2-(2-Bromophenyl)ethan-1-ol
CID 2734089
(R)-1-(2-bromophenyl)ethanol
CID 2734868
1-(2-Bromophenyl)ethan-1-ol
CID 6950331
(1S)-1-(3-bromophenyl)ethan-1-ol
CID 6951261
(3,5-Dibromophenyl)methanol
CID 7009423

Frequently Asked Questions

What is the IUPAC name of [3-bromo-4-(3-bromopropyl)phenyl]methanol?
The IUPAC name of [3-bromo-4-(3-bromopropyl)phenyl]methanol (CID 134625359) is [3-bromo-4-(3-bromopropyl)phenyl]methanol.
What is the SMILES notation for [3-bromo-4-(3-bromopropyl)phenyl]methanol?
The canonical SMILES for [3-bromo-4-(3-bromopropyl)phenyl]methanol is OCc1ccc(CCCBr)c(Br)c1.
What is the InChIKey of [3-bromo-4-(3-bromopropyl)phenyl]methanol?
The InChIKey is IUPJKGWREQCELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Br2O/c11-5-1-2-9-4-3-8(7-13)6-10(9)12/h3-4,6,13H,1-2,5,7H2.
What are the key properties of [3-bromo-4-(3-bromopropyl)phenyl]methanol?
[3-bromo-4-(3-bromopropyl)phenyl]methanol has a molecular weight of 308.01 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-4-(3-bromopropyl)phenyl]methanol is sourced from PubChem (CID 134625359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).