(E)-3-(4-bromo-3-methylphenyl)prop-2-en-1-ol

C10H11BrO — CID 83537442

IUPAC(E)-3-(4-bromo-3-methylphenyl)prop-2-en-1-ol
SMILESCc1cc(/C=C/CO)ccc1Br
InChIInChI=1S/C10H11BrO/c1-8-7-9(3-2-6-12)4-5-10(8)11/h2-5,7,12H,6H2,1H3/b3-2+
InChIKeySUFLZEUVJIJCSZ-NSCUHMNNSA-N
MW227.10 g/mol
LogP2.76
Rot. Bonds2

About (E)-3-(4-bromo-3-methylphenyl)prop-2-en-1-ol

(E)-3-(4-bromo-3-methylphenyl)prop-2-en-1-ol (PubChem CID 83537442) has the molecular formula C10H11BrO and a molecular weight of 227.10 g/mol. Its IUPAC name is (E)-3-(4-bromo-3-methylphenyl)prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-(4-bromo-3-methylphenyl)prop-2-en-1-ol
PubChem CID83537442
Molecular FormulaC10H11BrO
Molecular Weight227.10 g/mol
Exact Mass226.00
IUPAC Name(E)-3-(4-bromo-3-methylphenyl)prop-2-en-1-ol
SMILESCc1cc(/C=C/CO)ccc1Br
InChIInChI=1S/C10H11BrO/c1-8-7-9(3-2-6-12)4-5-10(8)11/h2-5,7,12H,6H2,1H3/b3-2+
InChIKeySUFLZEUVJIJCSZ-NSCUHMNNSA-N
XLogP2.76
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 ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(E)-3-(3,4-dimethylphenyl)prop-2-en-1-ol
CID 21017863
2-bromo-5-[(E)-3-hydroxyprop-1-enyl]phenol
CID 12641157
3-[4-(hydroxymethyl)-3-methylphenyl]prop-2-en-1-ol
CID 169453245
3-(4-bromo-3-chlorophenyl)prop-2-en-1-ol
CID 169454245
N-[3-(4-bromo-3-methylphenyl)prop-2-enyl]acetamide
CID 169466489
(E)-3-(4-methoxy-3-methylphenyl)prop-2-en-1-ol
CID 59912945
4-(3-hydroxyprop-1-enyl)-2-methylbenzaldehyde
CID 169453244
3-(4-bromo-3-methylphenyl)prop-2-enoic acid
CID 69114236
5-(3-hydroxyprop-1-enyl)-2-methylbenzonitrile
CID 169453340
(E)-4-(4-bromo-3-methylphenyl)but-3-en-2-amine
CID 103091622
(E)-4-(4-bromo-3-methylphenyl)-N-ethylbut-3-en-2-amine
CID 103092540
2-bromo-4-(3-chloroprop-1-enyl)-1-methylbenzene
CID 169478305

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-bromo-3-methylphenyl)prop-2-en-1-ol?
The IUPAC name of (E)-3-(4-bromo-3-methylphenyl)prop-2-en-1-ol (CID 83537442) is (E)-3-(4-bromo-3-methylphenyl)prop-2-en-1-ol.
What is the SMILES notation for (E)-3-(4-bromo-3-methylphenyl)prop-2-en-1-ol?
The canonical SMILES for (E)-3-(4-bromo-3-methylphenyl)prop-2-en-1-ol is Cc1cc(/C=C/CO)ccc1Br.
What is the InChIKey of (E)-3-(4-bromo-3-methylphenyl)prop-2-en-1-ol?
The InChIKey is SUFLZEUVJIJCSZ-NSCUHMNNSA-N. The full InChI is InChI=1S/C10H11BrO/c1-8-7-9(3-2-6-12)4-5-10(8)11/h2-5,7,12H,6H2,1H3/b3-2+.
What are the key properties of (E)-3-(4-bromo-3-methylphenyl)prop-2-en-1-ol?
(E)-3-(4-bromo-3-methylphenyl)prop-2-en-1-ol has a molecular weight of 227.10 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-bromo-3-methylphenyl)prop-2-en-1-ol is sourced from PubChem (CID 83537442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).