2-hex-2-en-3-ylphenol

C12H16O — CID 57154775

IUPAC2-hex-2-en-3-ylphenol
SMILESCC=C(CCC)c1ccccc1O
InChIInChI=1S/C12H16O/c1-3-7-10(4-2)11-8-5-6-9-12(11)13/h4-6,8-9,13H,3,7H2,1-2H3
InChIKeyUNJADCBECSDETJ-UHFFFAOYSA-N
MW176.26 g/mol
LogP3.60
Rot. Bonds3

About 2-hex-2-en-3-ylphenol

2-hex-2-en-3-ylphenol (PubChem CID 57154775) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is 2-hex-2-en-3-ylphenol.

Molecular Properties

Compound Name2-hex-2-en-3-ylphenol
PubChem CID57154775
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name2-hex-2-en-3-ylphenol
SMILESCC=C(CCC)c1ccccc1O
InChIInChI=1S/C12H16O/c1-3-7-10(4-2)11-8-5-6-9-12(11)13/h4-6,8-9,13H,3,7H2,1-2H3
InChIKeyUNJADCBECSDETJ-UHFFFAOYSA-N
XLogP3.60
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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1-methyl-2-oct-4-en-4-ylbenzene
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2-(2-methylhex-2-en-3-yl)phenol;bis(1,2-xylene)
CID 143430727
1-(2,3-dihydroxyphenyl)butan-1-one
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1-methoxy-2-[(Z)-pent-2-en-3-yl]benzene
CID 12531508
[(E)-hept-2-en-3-yl]benzene
CID 14568345
(Z)-N,N-dimethyl-3-(2-methylphenyl)pent-3-en-1-amine
CID 167306993
docosane;2-hydroxybenzoic acid
CID 161423500
1-hex-2-en-3-yl-3-methylcyclopropene
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Frequently Asked Questions

What is the IUPAC name of 2-hex-2-en-3-ylphenol?
The IUPAC name of 2-hex-2-en-3-ylphenol (CID 57154775) is 2-hex-2-en-3-ylphenol.
What is the SMILES notation for 2-hex-2-en-3-ylphenol?
The canonical SMILES for 2-hex-2-en-3-ylphenol is CC=C(CCC)c1ccccc1O.
What is the InChIKey of 2-hex-2-en-3-ylphenol?
The InChIKey is UNJADCBECSDETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O/c1-3-7-10(4-2)11-8-5-6-9-12(11)13/h4-6,8-9,13H,3,7H2,1-2H3.
What are the key properties of 2-hex-2-en-3-ylphenol?
2-hex-2-en-3-ylphenol has a molecular weight of 176.26 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hex-2-en-3-ylphenol is sourced from PubChem (CID 57154775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).