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

C10H11BrO — CID 134852489

IUPAC(E)-3-(3-bromo-2-methylphenyl)prop-2-en-1-ol
SMILESCc1c(Br)cccc1/C=C/CO
InChIInChI=1S/C10H11BrO/c1-8-9(5-3-7-12)4-2-6-10(8)11/h2-6,12H,7H2,1H3/b5-3+
InChIKeyDVEIISXHSBOGCH-HWKANZROSA-N
MW227.10 g/mol
LogP2.76
Rot. Bonds2

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

(E)-3-(3-bromo-2-methylphenyl)prop-2-en-1-ol (PubChem CID 134852489) has the molecular formula C10H11BrO and a molecular weight of 227.10 g/mol. Its IUPAC name is (E)-3-(3-bromo-2-methylphenyl)prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-(3-bromo-2-methylphenyl)prop-2-en-1-ol
PubChem CID134852489
Molecular FormulaC10H11BrO
Molecular Weight227.10 g/mol
Exact Mass226.00
IUPAC Name(E)-3-(3-bromo-2-methylphenyl)prop-2-en-1-ol
SMILESCc1c(Br)cccc1/C=C/CO
InChIInChI=1S/C10H11BrO/c1-8-9(5-3-7-12)4-2-6-10(8)11/h2-6,12H,7H2,1H3/b5-3+
InChIKeyDVEIISXHSBOGCH-HWKANZROSA-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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Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-bromo-2-methylphenyl)prop-2-en-1-ol?
The IUPAC name of (E)-3-(3-bromo-2-methylphenyl)prop-2-en-1-ol (CID 134852489) is (E)-3-(3-bromo-2-methylphenyl)prop-2-en-1-ol.
What is the SMILES notation for (E)-3-(3-bromo-2-methylphenyl)prop-2-en-1-ol?
The canonical SMILES for (E)-3-(3-bromo-2-methylphenyl)prop-2-en-1-ol is Cc1c(Br)cccc1/C=C/CO.
What is the InChIKey of (E)-3-(3-bromo-2-methylphenyl)prop-2-en-1-ol?
The InChIKey is DVEIISXHSBOGCH-HWKANZROSA-N. The full InChI is InChI=1S/C10H11BrO/c1-8-9(5-3-7-12)4-2-6-10(8)11/h2-6,12H,7H2,1H3/b5-3+.
What are the key properties of (E)-3-(3-bromo-2-methylphenyl)prop-2-en-1-ol?
(E)-3-(3-bromo-2-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-(3-bromo-2-methylphenyl)prop-2-en-1-ol is sourced from PubChem (CID 134852489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).