1-(4-bromo-2-methoxyphenyl)prop-2-en-1-ol

C10H11BrO2 — CID 115814693

IUPAC1-(4-bromo-2-methoxyphenyl)prop-2-en-1-ol
SMILESC=CC(O)c1ccc(Br)cc1OC
InChIInChI=1S/C10H11BrO2/c1-3-9(12)8-5-4-7(11)6-10(8)13-2/h3-6,9,12H,1H2,2H3
InChIKeyKWTVQPWCMNEBAP-UHFFFAOYSA-N
MW243.10 g/mol
LogP2.68
Rot. Bonds3

About 1-(4-bromo-2-methoxyphenyl)prop-2-en-1-ol

1-(4-bromo-2-methoxyphenyl)prop-2-en-1-ol (PubChem CID 115814693) has the molecular formula C10H11BrO2 and a molecular weight of 243.10 g/mol. Its IUPAC name is 1-(4-bromo-2-methoxyphenyl)prop-2-en-1-ol.

Molecular Properties

Compound Name1-(4-bromo-2-methoxyphenyl)prop-2-en-1-ol
PubChem CID115814693
Molecular FormulaC10H11BrO2
Molecular Weight243.10 g/mol
Exact Mass241.99
IUPAC Name1-(4-bromo-2-methoxyphenyl)prop-2-en-1-ol
SMILESC=CC(O)c1ccc(Br)cc1OC
InChIInChI=1S/C10H11BrO2/c1-3-9(12)8-5-4-7(11)6-10(8)13-2/h3-6,9,12H,1H2,2H3
InChIKeyKWTVQPWCMNEBAP-UHFFFAOYSA-N
XLogP2.68
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.10
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(4-bromo-2-methoxyphenyl)-(2,5-dibromophenyl)methanol
CID 115369715
(1R,2S)-1-amino-1-(4-bromo-2-methoxyphenyl)propan-2-ol
CID 130727947
2-amino-1-(4-bromo-2-methoxyphenyl)propan-1-ol
CID 82623849
(3-bromo-4-methoxyphenyl)-(4-bromo-2-methoxyphenyl)methanol
CID 115369701
1-(4-bromo-2-methoxyphenyl)butan-1-ol
CID 115780858
1-(4-bromo-2-methoxyphenyl)-2-(4-bromophenyl)ethanol
CID 115370061
1-(4-bromo-2-methoxyphenyl)pentan-1-ol
CID 115783251
(1R)-1-(4-bromo-2-methoxyphenyl)pent-4-en-1-amine
CID 171204809
(2S)-2-amino-2-(4-bromo-2-methoxyphenyl)ethanol
CID 66515456
(2R)-2-amino-2-(4-bromo-2-methoxyphenyl)ethanol
CID 66515457
(4-bromo-2-methoxyphenyl)-(2,4,5-trifluorophenyl)methanol
CID 103303339
(4-bromo-2-methoxyphenyl)-(4-methoxy-2,5-dimethylphenyl)methanol
CID 115831252

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methoxyphenyl)prop-2-en-1-ol?
The IUPAC name of 1-(4-bromo-2-methoxyphenyl)prop-2-en-1-ol (CID 115814693) is 1-(4-bromo-2-methoxyphenyl)prop-2-en-1-ol.
What is the SMILES notation for 1-(4-bromo-2-methoxyphenyl)prop-2-en-1-ol?
The canonical SMILES for 1-(4-bromo-2-methoxyphenyl)prop-2-en-1-ol is C=CC(O)c1ccc(Br)cc1OC.
What is the InChIKey of 1-(4-bromo-2-methoxyphenyl)prop-2-en-1-ol?
The InChIKey is KWTVQPWCMNEBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO2/c1-3-9(12)8-5-4-7(11)6-10(8)13-2/h3-6,9,12H,1H2,2H3.
What are the key properties of 1-(4-bromo-2-methoxyphenyl)prop-2-en-1-ol?
1-(4-bromo-2-methoxyphenyl)prop-2-en-1-ol has a molecular weight of 243.10 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-methoxyphenyl)prop-2-en-1-ol is sourced from PubChem (CID 115814693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).