4-(3-bromoprop-1-enyl)-3-methylphenol

C10H11BrO — CID 169475109

IUPAC4-(3-bromoprop-1-enyl)-3-methylphenol
SMILESCc1cc(O)ccc1C=CCBr
InChIInChI=1S/C10H11BrO/c1-8-7-10(12)5-4-9(8)3-2-6-11/h2-5,7,12H,6H2,1H3
InChIKeyBKPWQPFTDHFKFQ-UHFFFAOYSA-N
MW227.10 g/mol
LogP3.11
Rot. Bonds2

About 4-(3-bromoprop-1-enyl)-3-methylphenol

4-(3-bromoprop-1-enyl)-3-methylphenol (PubChem CID 169475109) has the molecular formula C10H11BrO and a molecular weight of 227.10 g/mol. Its IUPAC name is 4-(3-bromoprop-1-enyl)-3-methylphenol.

Molecular Properties

Compound Name4-(3-bromoprop-1-enyl)-3-methylphenol
PubChem CID169475109
Molecular FormulaC10H11BrO
Molecular Weight227.10 g/mol
Exact Mass226.00
IUPAC Name4-(3-bromoprop-1-enyl)-3-methylphenol
SMILESCc1cc(O)ccc1C=CCBr
InChIInChI=1S/C10H11BrO/c1-8-7-10(12)5-4-9(8)3-2-6-11/h2-5,7,12H,6H2,1H3
InChIKeyBKPWQPFTDHFKFQ-UHFFFAOYSA-N
XLogP3.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.10
LogP ≤ 53.11
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

3-methyl-4-(3-sulfanylprop-1-enyl)phenol
CID 169454754
3-(3-bromoprop-1-enyl)-4-chlorophenol
CID 169475079
ethyl (E)-3-(4-hydroxy-2-methylphenyl)prop-2-enoate
CID 86730658
4-bromo-3-[3-(methylamino)prop-1-enyl]phenol
CID 169474804
3-(3-bromoprop-1-enyl)-4-methylthiophene
CID 169474929
[4-(4-bromobut-1-enyl)-3-methylphenyl]methanol
CID 170497372
3-(4-hydroxybut-1-enyl)-4-methylphenol
CID 170476164
9H-fluoren-9-ylmethyl N-[3-(4-hydroxy-2-methylphenyl)prop-2-enyl]carbamate
CID 169469151
3-(4-aminobut-1-enyl)-4-methylphenol
CID 170486573
4-(3-bromoprop-1-enyl)-2,3-dimethylaniline
CID 169475520
2-(3-bromoprop-1-enyl)-4-methylaniline
CID 169475211
4-(2-bromoethyl)-3-methylphenol
CID 154476317

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromoprop-1-enyl)-3-methylphenol?
The IUPAC name of 4-(3-bromoprop-1-enyl)-3-methylphenol (CID 169475109) is 4-(3-bromoprop-1-enyl)-3-methylphenol.
What is the SMILES notation for 4-(3-bromoprop-1-enyl)-3-methylphenol?
The canonical SMILES for 4-(3-bromoprop-1-enyl)-3-methylphenol is Cc1cc(O)ccc1C=CCBr.
What is the InChIKey of 4-(3-bromoprop-1-enyl)-3-methylphenol?
The InChIKey is BKPWQPFTDHFKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO/c1-8-7-10(12)5-4-9(8)3-2-6-11/h2-5,7,12H,6H2,1H3.
What are the key properties of 4-(3-bromoprop-1-enyl)-3-methylphenol?
4-(3-bromoprop-1-enyl)-3-methylphenol has a molecular weight of 227.10 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromoprop-1-enyl)-3-methylphenol is sourced from PubChem (CID 169475109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).