4-hept-3-en-4-ylphenol

C13H18O — CID 154096280

IUPAC4-hept-3-en-4-ylphenol
SMILESCCC=C(CCC)c1ccc(O)cc1
InChIInChI=1S/C13H18O/c1-3-5-11(6-4-2)12-7-9-13(14)10-8-12/h5,7-10,14H,3-4,6H2,1-2H3
InChIKeyPGRGNGAGXYYIOK-UHFFFAOYSA-N
MW190.29 g/mol
LogP3.99
Rot. Bonds4

About 4-hept-3-en-4-ylphenol

4-hept-3-en-4-ylphenol (PubChem CID 154096280) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is 4-hept-3-en-4-ylphenol.

Molecular Properties

Compound Name4-hept-3-en-4-ylphenol
PubChem CID154096280
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name4-hept-3-en-4-ylphenol
SMILESCCC=C(CCC)c1ccc(O)cc1
InChIInChI=1S/C13H18O/c1-3-5-11(6-4-2)12-7-9-13(14)10-8-12/h5,7-10,14H,3-4,6H2,1-2H3
InChIKeyPGRGNGAGXYYIOK-UHFFFAOYSA-N
XLogP3.99
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 ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[2-(4-hydroxyphenyl)pent-1-enyl]phenol
CID 54248831
3-[4-[(E)-hept-3-en-4-yl]phenyl]prop-2-yn-1-ol
CID 134394928
2-[4-[(E)-hept-3-en-4-yl]phenyl]pentan-3-amine
CID 134316527
4-[(E)-hept-3-en-4-yl]-1-pentyl-2-propylbenzene
CID 143116138
1-(4-hydroxyphenyl)pentane-1,2-dione
CID 125478605
[(Z)-non-3-en-4-yl]benzene
CID 101008148
4-[(Z)-hex-2-en-2-yl]phenol
CID 68725737
1-methoxy-4-oct-4-en-4-ylbenzene
CID 72965234
4-hydroxybenzoic acid;pent-2-ene
CID 174305627
4-[(Z)-1-(4-aminophenyl)-2-methylpent-1-enyl]phenol
CID 145429967
(E)-4-(4-aminophenyl)hept-3-enoic acid
CID 112721867
3-chloro-4-[(E)-hept-3-en-4-yl]-N,N-dimethylbenzamide
CID 177353211

Frequently Asked Questions

What is the IUPAC name of 4-hept-3-en-4-ylphenol?
The IUPAC name of 4-hept-3-en-4-ylphenol (CID 154096280) is 4-hept-3-en-4-ylphenol.
What is the SMILES notation for 4-hept-3-en-4-ylphenol?
The canonical SMILES for 4-hept-3-en-4-ylphenol is CCC=C(CCC)c1ccc(O)cc1.
What is the InChIKey of 4-hept-3-en-4-ylphenol?
The InChIKey is PGRGNGAGXYYIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O/c1-3-5-11(6-4-2)12-7-9-13(14)10-8-12/h5,7-10,14H,3-4,6H2,1-2H3.
What are the key properties of 4-hept-3-en-4-ylphenol?
4-hept-3-en-4-ylphenol has a molecular weight of 190.29 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hept-3-en-4-ylphenol is sourced from PubChem (CID 154096280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).