4-[(Z)-hept-5-en-2-yl]phenol

C13H18O — CID 143064321

IUPAC4-[(Z)-hept-5-en-2-yl]phenol
SMILESC/C=C\CCC(C)c1ccc(O)cc1
InChIInChI=1S/C13H18O/c1-3-4-5-6-11(2)12-7-9-13(14)10-8-12/h3-4,7-11,14H,5-6H2,1-2H3/b4-3-
InChIKeyVJLOTGSFBGKIBF-ARJAWSKDSA-N
MW190.29 g/mol
LogP3.85
Rot. Bonds4

About 4-[(Z)-hept-5-en-2-yl]phenol

4-[(Z)-hept-5-en-2-yl]phenol (PubChem CID 143064321) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is 4-[(Z)-hept-5-en-2-yl]phenol.

Molecular Properties

Compound Name4-[(Z)-hept-5-en-2-yl]phenol
PubChem CID143064321
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name4-[(Z)-hept-5-en-2-yl]phenol
SMILESC/C=C\CCC(C)c1ccc(O)cc1
InChIInChI=1S/C13H18O/c1-3-4-5-6-11(2)12-7-9-13(14)10-8-12/h3-4,7-11,14H,5-6H2,1-2H3/b4-3-
InChIKeyVJLOTGSFBGKIBF-ARJAWSKDSA-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

4-tert-Pentylphenol
CID 6643
P-Cresol
CID 2879
Thymol
CID 6989
Diethylstilbestrol
CID 448537
O-Cresol
CID 335
M-Cresol
CID 342
Bisphenol A
CID 6623
2,4-Dimethylphenol
CID 7771
Tert-Butylhydroquinone
CID 16043
2,6-Di-tert-butyl-4-methylphenol
CID 31404
Dienestrol
CID 667476
(1,1'-Biphenyl)-2-ol
CID 7017

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-hept-5-en-2-yl]phenol?
The IUPAC name of 4-[(Z)-hept-5-en-2-yl]phenol (CID 143064321) is 4-[(Z)-hept-5-en-2-yl]phenol.
What is the SMILES notation for 4-[(Z)-hept-5-en-2-yl]phenol?
The canonical SMILES for 4-[(Z)-hept-5-en-2-yl]phenol is C/C=C\CCC(C)c1ccc(O)cc1.
What is the InChIKey of 4-[(Z)-hept-5-en-2-yl]phenol?
The InChIKey is VJLOTGSFBGKIBF-ARJAWSKDSA-N. The full InChI is InChI=1S/C13H18O/c1-3-4-5-6-11(2)12-7-9-13(14)10-8-12/h3-4,7-11,14H,5-6H2,1-2H3/b4-3-.
What are the key properties of 4-[(Z)-hept-5-en-2-yl]phenol?
4-[(Z)-hept-5-en-2-yl]phenol 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 4-[(Z)-hept-5-en-2-yl]phenol is sourced from PubChem (CID 143064321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).