(2-bromo-5-prop-1-en-2-ylphenyl)methanol

C10H11BrO — CID 175563354

IUPAC(2-bromo-5-prop-1-en-2-ylphenyl)methanol
SMILESC=C(C)c1ccc(Br)c(CO)c1
InChIInChI=1S/C10H11BrO/c1-7(2)8-3-4-10(11)9(5-8)6-12/h3-5,12H,1,6H2,2H3
InChIKeyQKQHDUFVPVHDCK-UHFFFAOYSA-N
MW227.10 g/mol
LogP2.97
Rot. Bonds2

About (2-bromo-5-prop-1-en-2-ylphenyl)methanol

(2-bromo-5-prop-1-en-2-ylphenyl)methanol (PubChem CID 175563354) has the molecular formula C10H11BrO and a molecular weight of 227.10 g/mol. Its IUPAC name is (2-bromo-5-prop-1-en-2-ylphenyl)methanol.

Molecular Properties

Compound Name(2-bromo-5-prop-1-en-2-ylphenyl)methanol
PubChem CID175563354
Molecular FormulaC10H11BrO
Molecular Weight227.10 g/mol
Exact Mass226.00
IUPAC Name(2-bromo-5-prop-1-en-2-ylphenyl)methanol
SMILESC=C(C)c1ccc(Br)c(CO)c1
InChIInChI=1S/C10H11BrO/c1-7(2)8-3-4-10(11)9(5-8)6-12/h3-5,12H,1,6H2,2H3
InChIKeyQKQHDUFVPVHDCK-UHFFFAOYSA-N
XLogP2.97
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 ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-prop-1-en-2-ylphenyl)methanol?
The IUPAC name of (2-bromo-5-prop-1-en-2-ylphenyl)methanol (CID 175563354) is (2-bromo-5-prop-1-en-2-ylphenyl)methanol.
What is the SMILES notation for (2-bromo-5-prop-1-en-2-ylphenyl)methanol?
The canonical SMILES for (2-bromo-5-prop-1-en-2-ylphenyl)methanol is C=C(C)c1ccc(Br)c(CO)c1.
What is the InChIKey of (2-bromo-5-prop-1-en-2-ylphenyl)methanol?
The InChIKey is QKQHDUFVPVHDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO/c1-7(2)8-3-4-10(11)9(5-8)6-12/h3-5,12H,1,6H2,2H3.
What are the key properties of (2-bromo-5-prop-1-en-2-ylphenyl)methanol?
(2-bromo-5-prop-1-en-2-ylphenyl)methanol has a molecular weight of 227.10 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-prop-1-en-2-ylphenyl)methanol is sourced from PubChem (CID 175563354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).