[5-(3-bromoprop-1-enyl)-2-methylphenyl]methanol

C11H13BrO — CID 169475402

IUPAC[5-(3-bromoprop-1-enyl)-2-methylphenyl]methanol
SMILESCc1ccc(C=CCBr)cc1CO
InChIInChI=1S/C11H13BrO/c1-9-4-5-10(3-2-6-12)7-11(9)8-13/h2-5,7,13H,6,8H2,1H3
InChIKeyBICKEAQKQLIDHW-UHFFFAOYSA-N
MW241.13 g/mol
LogP2.90
Rot. Bonds3

About [5-(3-bromoprop-1-enyl)-2-methylphenyl]methanol

[5-(3-bromoprop-1-enyl)-2-methylphenyl]methanol (PubChem CID 169475402) has the molecular formula C11H13BrO and a molecular weight of 241.13 g/mol. Its IUPAC name is [5-(3-bromoprop-1-enyl)-2-methylphenyl]methanol.

Molecular Properties

Compound Name[5-(3-bromoprop-1-enyl)-2-methylphenyl]methanol
PubChem CID169475402
Molecular FormulaC11H13BrO
Molecular Weight241.13 g/mol
Exact Mass240.01
IUPAC Name[5-(3-bromoprop-1-enyl)-2-methylphenyl]methanol
SMILESCc1ccc(C=CCBr)cc1CO
InChIInChI=1S/C11H13BrO/c1-9-4-5-10(3-2-6-12)7-11(9)8-13/h2-5,7,13H,6,8H2,1H3
InChIKeyBICKEAQKQLIDHW-UHFFFAOYSA-N
XLogP2.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.13
LogP ≤ 52.90
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

[5-(3-chloroprop-1-enyl)-2-methylphenyl]methanol
CID 169477252
[2-methyl-5-(4-sulfanylbut-1-enyl)phenyl]methanol
CID 170478236
4-[3-(hydroxymethyl)-4-methylphenyl]but-3-enenitrile
CID 170799597
[5-(3-bromoprop-1-enyl)-2-chlorophenyl]methanol
CID 169475368
ethyl 4-[3-(hydroxymethyl)-4-methylphenyl]but-3-enoate
CID 170796050
tert-butyl N-[3-[3-(hydroxymethyl)-4-methylphenyl]prop-2-enyl]carbamate
CID 169467416
3-[4-(hydroxymethyl)-3-methylphenyl]prop-2-en-1-ol
CID 169453245
(E)-3-(3,4-dimethylphenyl)prop-2-en-1-ol
CID 21017863
1-[(E)-3-bromoprop-1-enyl]-3-methylbenzene
CID 15662681
[5-(4-bromobut-1-enyl)-2-fluorophenyl]methanol
CID 170497332
4-(3-bromoprop-1-enyl)-1,2-difluorobenzene
CID 4997890
5-(3-bromoprop-1-enyl)-2-chlorophenol
CID 169475092

Frequently Asked Questions

What is the IUPAC name of [5-(3-bromoprop-1-enyl)-2-methylphenyl]methanol?
The IUPAC name of [5-(3-bromoprop-1-enyl)-2-methylphenyl]methanol (CID 169475402) is [5-(3-bromoprop-1-enyl)-2-methylphenyl]methanol.
What is the SMILES notation for [5-(3-bromoprop-1-enyl)-2-methylphenyl]methanol?
The canonical SMILES for [5-(3-bromoprop-1-enyl)-2-methylphenyl]methanol is Cc1ccc(C=CCBr)cc1CO.
What is the InChIKey of [5-(3-bromoprop-1-enyl)-2-methylphenyl]methanol?
The InChIKey is BICKEAQKQLIDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO/c1-9-4-5-10(3-2-6-12)7-11(9)8-13/h2-5,7,13H,6,8H2,1H3.
What are the key properties of [5-(3-bromoprop-1-enyl)-2-methylphenyl]methanol?
[5-(3-bromoprop-1-enyl)-2-methylphenyl]methanol has a molecular weight of 241.13 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-bromoprop-1-enyl)-2-methylphenyl]methanol is sourced from PubChem (CID 169475402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).