2-hept-5-en-2-ylphenol

C13H18O — CID 151668072

IUPAC2-hept-5-en-2-ylphenol
SMILESCC=CCCC(C)c1ccccc1O
InChIInChI=1S/C13H18O/c1-3-4-5-8-11(2)12-9-6-7-10-13(12)14/h3-4,6-7,9-11,14H,5,8H2,1-2H3
InChIKeyQXYJTYRSDZIVQQ-UHFFFAOYSA-N
MW190.29 g/mol
LogP3.85
Rot. Bonds4

About 2-hept-5-en-2-ylphenol

2-hept-5-en-2-ylphenol (PubChem CID 151668072) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is 2-hept-5-en-2-ylphenol.

Molecular Properties

Compound Name2-hept-5-en-2-ylphenol
PubChem CID151668072
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name2-hept-5-en-2-ylphenol
SMILESCC=CCCC(C)c1ccccc1O
InChIInChI=1S/C13H18O/c1-3-4-5-8-11(2)12-9-6-7-10-13(12)14/h3-4,6-7,9-11,14H,5,8H2,1-2H3
InChIKeyQXYJTYRSDZIVQQ-UHFFFAOYSA-N
XLogP3.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(E)-hept-5-en-2-yl]benzene
CID 22172140
2,8-bis(2-hydroxyphenyl)nonan-5-one
CID 150620616
4-[(Z)-hept-5-en-2-yl]phenol
CID 143064321
2-(6-methylheptan-2-yl)phenol
CID 163037790
2-butan-2-ylphenol;formaldehyde
CID 66765994
2-(1-fluoropropan-2-yl)phenol
CID 19048051
2-(1-aminopropan-2-yl)phenol
CID 3028046
tributyl-[3-(2-hydroxyphenyl)butyl]phosphanium
CID 154932101
2-[(2S)-4-[(2S)-3,3-dimethyloxiran-2-yl]butan-2-yl]phenol
CID 134895154
3,7-dimethyloct-6-enyl 4-(2-hydroxyphenyl)pentanoate
CID 142486298
2-[5-amino-4-(aminomethyl)pentan-2-yl]phenol
CID 83930477
1-[(E)-hex-4-en-2-yl]-2-propylbenzene
CID 145391504

Frequently Asked Questions

What is the IUPAC name of 2-hept-5-en-2-ylphenol?
The IUPAC name of 2-hept-5-en-2-ylphenol (CID 151668072) is 2-hept-5-en-2-ylphenol.
What is the SMILES notation for 2-hept-5-en-2-ylphenol?
The canonical SMILES for 2-hept-5-en-2-ylphenol is CC=CCCC(C)c1ccccc1O.
What is the InChIKey of 2-hept-5-en-2-ylphenol?
The InChIKey is QXYJTYRSDZIVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O/c1-3-4-5-8-11(2)12-9-6-7-10-13(12)14/h3-4,6-7,9-11,14H,5,8H2,1-2H3.
What are the key properties of 2-hept-5-en-2-ylphenol?
2-hept-5-en-2-ylphenol has a molecular weight of 190.29 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hept-5-en-2-ylphenol is sourced from PubChem (CID 151668072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).