3-[(E)-2-bromoethenyl]phenol

C8H7BrO — CID 74892827

IUPAC3-[(E)-2-bromoethenyl]phenol
SMILESOc1cccc(/C=C/Br)c1
InChIInChI=1S/C8H7BrO/c9-5-4-7-2-1-3-8(10)6-7/h1-6,10H/b5-4+
InChIKeyZOBYKOQITZPVFN-SNAWJCMRSA-N
MW199.05 g/mol
LogP2.76
Rot. Bonds1

About 3-[(E)-2-bromoethenyl]phenol

3-[(E)-2-bromoethenyl]phenol (PubChem CID 74892827) has the molecular formula C8H7BrO and a molecular weight of 199.05 g/mol. Its IUPAC name is 3-[(E)-2-bromoethenyl]phenol.

Molecular Properties

Compound Name3-[(E)-2-bromoethenyl]phenol
PubChem CID74892827
Molecular FormulaC8H7BrO
Molecular Weight199.05 g/mol
Exact Mass197.97
IUPAC Name3-[(E)-2-bromoethenyl]phenol
SMILESOc1cccc(/C=C/Br)c1
InChIInChI=1S/C8H7BrO/c9-5-4-7-2-1-3-8(10)6-7/h1-6,10H/b5-4+
InChIKeyZOBYKOQITZPVFN-SNAWJCMRSA-N
XLogP2.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.05
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(Z)-2-(3-hydroxyphenyl)ethenyl]phenol;3-[(E)-2-(3-methylphenyl)ethenyl]phenol
CID 159541553
3-[(E)-2-chloroethenyl]phenol
CID 131239528
3-(2-methoxyethenyl)phenol
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(Z)-4-(3-hydroxyphenyl)but-3-en-2-one
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3-[(E)-2-(4-fluorophenyl)ethenyl]phenol
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(E)-3-(3-hydroxyphenyl)prop-2-enenitrile
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3-[(E)-2-(2,3-dihydro-1H-inden-2-yl)ethenyl]phenol
CID 138974354
4-[2-(3-hydroxyphenyl)ethenyl]benzene-1,3-diol
CID 54100227
(E)-3-(3-hydroxyphenyl)prop-2-enethioamide
CID 82668662
3-[(E)-2-(3-methoxyphenyl)ethenyl]phenol
CID 11401879
3-(2-bromoethenyl)benzoic acid
CID 151248021
(E)-1-(2-hydroxyphenyl)-3-(3-hydroxyphenyl)prop-2-en-1-one
CID 5270542

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-bromoethenyl]phenol?
The IUPAC name of 3-[(E)-2-bromoethenyl]phenol (CID 74892827) is 3-[(E)-2-bromoethenyl]phenol.
What is the SMILES notation for 3-[(E)-2-bromoethenyl]phenol?
The canonical SMILES for 3-[(E)-2-bromoethenyl]phenol is Oc1cccc(/C=C/Br)c1.
What is the InChIKey of 3-[(E)-2-bromoethenyl]phenol?
The InChIKey is ZOBYKOQITZPVFN-SNAWJCMRSA-N. The full InChI is InChI=1S/C8H7BrO/c9-5-4-7-2-1-3-8(10)6-7/h1-6,10H/b5-4+.
What are the key properties of 3-[(E)-2-bromoethenyl]phenol?
3-[(E)-2-bromoethenyl]phenol has a molecular weight of 199.05 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-bromoethenyl]phenol is sourced from PubChem (CID 74892827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).