3-(5-bromo-2-propoxyphenyl)prop-2-en-1-ol

C12H15BrO2 — CID 79334203

IUPAC3-(5-bromo-2-propoxyphenyl)prop-2-en-1-ol
SMILESCCCOc1ccc(Br)cc1C=CCO
InChIInChI=1S/C12H15BrO2/c1-2-8-15-12-6-5-11(13)9-10(12)4-3-7-14/h3-6,9,14H,2,7-8H2,1H3
InChIKeyHAZLNQLVQYIWLO-UHFFFAOYSA-N
MW271.15 g/mol
LogP3.24
Rot. Bonds5

About 3-(5-bromo-2-propoxyphenyl)prop-2-en-1-ol

3-(5-bromo-2-propoxyphenyl)prop-2-en-1-ol (PubChem CID 79334203) has the molecular formula C12H15BrO2 and a molecular weight of 271.15 g/mol. Its IUPAC name is 3-(5-bromo-2-propoxyphenyl)prop-2-en-1-ol.

Molecular Properties

Compound Name3-(5-bromo-2-propoxyphenyl)prop-2-en-1-ol
PubChem CID79334203
Molecular FormulaC12H15BrO2
Molecular Weight271.15 g/mol
Exact Mass270.03
IUPAC Name3-(5-bromo-2-propoxyphenyl)prop-2-en-1-ol
SMILESCCCOc1ccc(Br)cc1C=CCO
InChIInChI=1S/C12H15BrO2/c1-2-8-15-12-6-5-11(13)9-10(12)4-3-7-14/h3-6,9,14H,2,7-8H2,1H3
InChIKeyHAZLNQLVQYIWLO-UHFFFAOYSA-N
XLogP3.24
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.15
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-[3-(5-bromo-2-propoxyphenyl)prop-2-enoylamino]acetic acid
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3-(5-bromo-2-methoxyphenyl)-N-propylprop-2-en-1-amine
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(Z)-4-(5-bromo-2-propoxyphenyl)-N-ethyl-3-methylbut-3-en-2-amine
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CID 22619457

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-propoxyphenyl)prop-2-en-1-ol?
The IUPAC name of 3-(5-bromo-2-propoxyphenyl)prop-2-en-1-ol (CID 79334203) is 3-(5-bromo-2-propoxyphenyl)prop-2-en-1-ol.
What is the SMILES notation for 3-(5-bromo-2-propoxyphenyl)prop-2-en-1-ol?
The canonical SMILES for 3-(5-bromo-2-propoxyphenyl)prop-2-en-1-ol is CCCOc1ccc(Br)cc1C=CCO.
What is the InChIKey of 3-(5-bromo-2-propoxyphenyl)prop-2-en-1-ol?
The InChIKey is HAZLNQLVQYIWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO2/c1-2-8-15-12-6-5-11(13)9-10(12)4-3-7-14/h3-6,9,14H,2,7-8H2,1H3.
What are the key properties of 3-(5-bromo-2-propoxyphenyl)prop-2-en-1-ol?
3-(5-bromo-2-propoxyphenyl)prop-2-en-1-ol has a molecular weight of 271.15 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-propoxyphenyl)prop-2-en-1-ol is sourced from PubChem (CID 79334203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).