3-hept-1-en-2-ylphenol

C13H18O — CID 67877089

IUPAC3-hept-1-en-2-ylphenol
SMILESC=C(CCCCC)c1cccc(O)c1
InChIInChI=1S/C13H18O/c1-3-4-5-7-11(2)12-8-6-9-13(14)10-12/h6,8-10,14H,2-5,7H2,1H3
InChIKeyXHAJNMOSFFZVCL-UHFFFAOYSA-N
MW190.29 g/mol
LogP3.99
Rot. Bonds5

About 3-hept-1-en-2-ylphenol

3-hept-1-en-2-ylphenol (PubChem CID 67877089) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is 3-hept-1-en-2-ylphenol.

Molecular Properties

Compound Name3-hept-1-en-2-ylphenol
PubChem CID67877089
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name3-hept-1-en-2-ylphenol
SMILESC=C(CCCCC)c1cccc(O)c1
InChIInChI=1S/C13H18O/c1-3-4-5-7-11(2)12-8-6-9-13(14)10-12/h6,8-10,14H,2-5,7H2,1H3
InChIKeyXHAJNMOSFFZVCL-UHFFFAOYSA-N
XLogP3.99
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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

Computed Properties (RDKit)

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

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Related Compounds

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benzene-1,3-diol;bis(heptadecanoic acid)
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1-dec-1-en-2-yl-4-methylbenzene
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hex-1-en-2-ylbenzene;propan-2-one
CID 142095367
4-tetracos-1-en-2-ylpyridine
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3-hydroxy-N-octylbenzamide
CID 115568584
1,3-bis(but-1-en-2-yl)benzene
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Frequently Asked Questions

What is the IUPAC name of 3-hept-1-en-2-ylphenol?
The IUPAC name of 3-hept-1-en-2-ylphenol (CID 67877089) is 3-hept-1-en-2-ylphenol.
What is the SMILES notation for 3-hept-1-en-2-ylphenol?
The canonical SMILES for 3-hept-1-en-2-ylphenol is C=C(CCCCC)c1cccc(O)c1.
What is the InChIKey of 3-hept-1-en-2-ylphenol?
The InChIKey is XHAJNMOSFFZVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O/c1-3-4-5-7-11(2)12-8-6-9-13(14)10-12/h6,8-10,14H,2-5,7H2,1H3.
What are the key properties of 3-hept-1-en-2-ylphenol?
3-hept-1-en-2-ylphenol has a molecular weight of 190.29 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hept-1-en-2-ylphenol is sourced from PubChem (CID 67877089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).