3-hept-1-enyl-2-methylphenol

C14H20O — CID 140713587

IUPAC3-hept-1-enyl-2-methylphenol
SMILESCCCCCC=Cc1cccc(O)c1C
InChIInChI=1S/C14H20O/c1-3-4-5-6-7-9-13-10-8-11-14(15)12(13)2/h7-11,15H,3-6H2,1-2H3
InChIKeyXFMQAUSZZHBLHG-UHFFFAOYSA-N
MW204.31 g/mol
LogP4.29
Rot. Bonds5

About 3-hept-1-enyl-2-methylphenol

3-hept-1-enyl-2-methylphenol (PubChem CID 140713587) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 3-hept-1-enyl-2-methylphenol.

Molecular Properties

Compound Name3-hept-1-enyl-2-methylphenol
PubChem CID140713587
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name3-hept-1-enyl-2-methylphenol
SMILESCCCCCC=Cc1cccc(O)c1C
InChIInChI=1S/C14H20O/c1-3-4-5-6-7-9-13-10-8-11-14(15)12(13)2/h7-11,15H,3-6H2,1-2H3
InChIKeyXFMQAUSZZHBLHG-UHFFFAOYSA-N
XLogP4.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 54.29
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

2-methyl-3-pentadec-1-enylphenol
CID 69052424
acetylene;2-methyl-3-[(E)-non-1-enyl]phenol
CID 142088594
3-dec-1-enylbenzene-1,2-diol
CID 139606028
3-[(E)-but-1-enyl]-2-methylphenol
CID 173140204
3-(4-chlorobut-1-enyl)-2-methylphenol
CID 154254910
1-[(E)-hept-1-enyl]-2-methylbenzene
CID 12013068
3-dec-1-enyl-2-(2-hydroxyphenyl)phenol
CID 139606032
3-dodec-1-enyl-2-(2-hydroxyphenyl)phenol
CID 139606033
1-methyl-2-[(E)-oct-1-enyl]benzene
CID 11989536
3-[(E)-3-aminoprop-1-enyl]-2-methylphenol
CID 117276201
1,2,3-trimethyl-4-oct-1-enylbenzene
CID 173045984
4-(3-hydroxy-2-methylphenyl)but-3-enal
CID 170481478

Frequently Asked Questions

What is the IUPAC name of 3-hept-1-enyl-2-methylphenol?
The IUPAC name of 3-hept-1-enyl-2-methylphenol (CID 140713587) is 3-hept-1-enyl-2-methylphenol.
What is the SMILES notation for 3-hept-1-enyl-2-methylphenol?
The canonical SMILES for 3-hept-1-enyl-2-methylphenol is CCCCCC=Cc1cccc(O)c1C.
What is the InChIKey of 3-hept-1-enyl-2-methylphenol?
The InChIKey is XFMQAUSZZHBLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c1-3-4-5-6-7-9-13-10-8-11-14(15)12(13)2/h7-11,15H,3-6H2,1-2H3.
What are the key properties of 3-hept-1-enyl-2-methylphenol?
3-hept-1-enyl-2-methylphenol has a molecular weight of 204.31 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hept-1-enyl-2-methylphenol is sourced from PubChem (CID 140713587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).