1-(2-hydroxyphenyl)-6-methylhept-5-en-1-one

C14H18O2 — CID 134961590

IUPAC1-(2-hydroxyphenyl)-6-methylhept-5-en-1-one
SMILESCC(C)=CCCCC(=O)c1ccccc1O
InChIInChI=1S/C14H18O2/c1-11(2)7-3-5-9-13(15)12-8-4-6-10-14(12)16/h4,6-8,10,16H,3,5,9H2,1-2H3
InChIKeyARQKSQRNKMJFSE-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.71
Rot. Bonds5

About 1-(2-hydroxyphenyl)-6-methylhept-5-en-1-one

1-(2-hydroxyphenyl)-6-methylhept-5-en-1-one (PubChem CID 134961590) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-(2-hydroxyphenyl)-6-methylhept-5-en-1-one.

Molecular Properties

Compound Name1-(2-hydroxyphenyl)-6-methylhept-5-en-1-one
PubChem CID134961590
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name1-(2-hydroxyphenyl)-6-methylhept-5-en-1-one
SMILESCC(C)=CCCCC(=O)c1ccccc1O
InChIInChI=1S/C14H18O2/c1-11(2)7-3-5-9-13(15)12-8-4-6-10-14(12)16/h4,6-8,10,16H,3,5,9H2,1-2H3
InChIKeyARQKSQRNKMJFSE-UHFFFAOYSA-N
XLogP3.71
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 3624355
(Z)-1-(2-hydroxyphenyl)octadec-9-en-1-one
CID 174651259
N-[5-(2-hydroxyphenyl)-5-oxopentyl]acetamide
CID 70466326
1-(2-hydroxyphenyl)pent-4-en-1-one
CID 15394978
N-(3,7-dimethylocta-2,6-dienylideneamino)-2-hydroxybenzamide
CID 2827312
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CID 158243902
1-(2,3-dihydroxyphenyl)butan-1-one
CID 23094385
1-(2-hydroxyphenyl)-3-methylbut-2-en-1-one
CID 15261544
1-(2-hydroxyphenyl)-3-(2-methylphenyl)propan-1-one
CID 90102883
1-(2-hydroxyphenyl)but-3-en-1-one
CID 68794412
1-(2-hydroxy-3-octanoylphenyl)octan-1-one
CID 23530125
bis(1-(2-hydroxyphenyl)ethanone);zirconium
CID 87865139

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyphenyl)-6-methylhept-5-en-1-one?
The IUPAC name of 1-(2-hydroxyphenyl)-6-methylhept-5-en-1-one (CID 134961590) is 1-(2-hydroxyphenyl)-6-methylhept-5-en-1-one.
What is the SMILES notation for 1-(2-hydroxyphenyl)-6-methylhept-5-en-1-one?
The canonical SMILES for 1-(2-hydroxyphenyl)-6-methylhept-5-en-1-one is CC(C)=CCCCC(=O)c1ccccc1O.
What is the InChIKey of 1-(2-hydroxyphenyl)-6-methylhept-5-en-1-one?
The InChIKey is ARQKSQRNKMJFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-11(2)7-3-5-9-13(15)12-8-4-6-10-14(12)16/h4,6-8,10,16H,3,5,9H2,1-2H3.
What are the key properties of 1-(2-hydroxyphenyl)-6-methylhept-5-en-1-one?
1-(2-hydroxyphenyl)-6-methylhept-5-en-1-one has a molecular weight of 218.30 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyphenyl)-6-methylhept-5-en-1-one is sourced from PubChem (CID 134961590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).