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

C10H12Br2O — CID 118993748

IUPAC[2-bromo-3-(3-bromopropyl)phenyl]methanol
SMILESOCc1cccc(CCCBr)c1Br
InChIInChI=1S/C10H12Br2O/c11-6-2-5-8-3-1-4-9(7-13)10(8)12/h1,3-4,13H,2,5-7H2
InChIKeyXWMQCHCYKGTUJN-UHFFFAOYSA-N
MW308.01 g/mol
LogP3.27
Rot. Bonds4

About [2-bromo-3-(3-bromopropyl)phenyl]methanol

[2-bromo-3-(3-bromopropyl)phenyl]methanol (PubChem CID 118993748) has the molecular formula C10H12Br2O and a molecular weight of 308.01 g/mol. Its IUPAC name is [2-bromo-3-(3-bromopropyl)phenyl]methanol.

Molecular Properties

Compound Name[2-bromo-3-(3-bromopropyl)phenyl]methanol
PubChem CID118993748
Molecular FormulaC10H12Br2O
Molecular Weight308.01 g/mol
Exact Mass305.93
IUPAC Name[2-bromo-3-(3-bromopropyl)phenyl]methanol
SMILESOCc1cccc(CCCBr)c1Br
InChIInChI=1S/C10H12Br2O/c11-6-2-5-8-3-1-4-9(7-13)10(8)12/h1,3-4,13H,2,5-7H2
InChIKeyXWMQCHCYKGTUJN-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-bromo-1-(3-bromopropyl)-3-methoxybenzene
CID 119022579
3-(3-bromopropyl)-2-fluorophenol
CID 131093499
3-bromo-1-[2-bromo-3-(hydroxymethyl)phenyl]propan-1-one
CID 134624459
2-bromo-6-(3-bromopropyl)benzoic acid
CID 134619321
2-bromo-1-[bromo(dideuterio)methyl]-3-(bromomethyl)benzene;[2-bromo-3-(hydroxymethyl)phenyl]-dideuteriomethanol
CID 167556305
[3-bromo-4-(3-bromopropyl)phenyl]methanol
CID 134625359
1-(3-bromopropyl)-2,3-dimethylbenzene
CID 59407640
1-(3-bromopropyl)-2,3-difluorobenzene
CID 53433974
2-[3-(2-aminoethyl)-2-bromophenyl]ethanamine
CID 170868655
(2-bromo-3-methoxyphenyl)methanol
CID 54103130
2-bromo-3-(2-hydroxyethyl)phenol
CID 141056029
1-(3-bromopropyl)-3-chloro-2-methylbenzene
CID 59407894

Frequently Asked Questions

What is the IUPAC name of [2-bromo-3-(3-bromopropyl)phenyl]methanol?
The IUPAC name of [2-bromo-3-(3-bromopropyl)phenyl]methanol (CID 118993748) is [2-bromo-3-(3-bromopropyl)phenyl]methanol.
What is the SMILES notation for [2-bromo-3-(3-bromopropyl)phenyl]methanol?
The canonical SMILES for [2-bromo-3-(3-bromopropyl)phenyl]methanol is OCc1cccc(CCCBr)c1Br.
What is the InChIKey of [2-bromo-3-(3-bromopropyl)phenyl]methanol?
The InChIKey is XWMQCHCYKGTUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Br2O/c11-6-2-5-8-3-1-4-9(7-13)10(8)12/h1,3-4,13H,2,5-7H2.
What are the key properties of [2-bromo-3-(3-bromopropyl)phenyl]methanol?
[2-bromo-3-(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 [2-bromo-3-(3-bromopropyl)phenyl]methanol is sourced from PubChem (CID 118993748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).