4-methyl-3-(5-methylhex-4-enyl)phenol

C14H20O — CID 53361663

IUPAC4-methyl-3-(5-methylhex-4-enyl)phenol
SMILESCC(C)=CCCCc1cc(O)ccc1C
InChIInChI=1S/C14H20O/c1-11(2)6-4-5-7-13-10-14(15)9-8-12(13)3/h6,8-10,15H,4-5,7H2,1-3H3
InChIKeyRVSYWNHEJXISGI-UHFFFAOYSA-N
MW204.31 g/mol
LogP3.99
Rot. Bonds4

About 4-methyl-3-(5-methylhex-4-enyl)phenol

4-methyl-3-(5-methylhex-4-enyl)phenol (PubChem CID 53361663) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 4-methyl-3-(5-methylhex-4-enyl)phenol.

Molecular Properties

Compound Name4-methyl-3-(5-methylhex-4-enyl)phenol
PubChem CID53361663
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name4-methyl-3-(5-methylhex-4-enyl)phenol
SMILESCC(C)=CCCCc1cc(O)ccc1C
InChIInChI=1S/C14H20O/c1-11(2)6-4-5-7-13-10-14(15)9-8-12(13)3/h6,8-10,15H,4-5,7H2,1-3H3
InChIKeyRVSYWNHEJXISGI-UHFFFAOYSA-N
XLogP3.99
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-but-3-enyl-4-methylphenol
CID 59165328
3-butyl-4-methylphenol;2-methylhexane
CID 142056802
4-methyl-3-(2,2,2-trifluoroethyl)phenol
CID 16756490
3-[(3S)-3-aminobutyl]-4-methylphenol
CID 130741104
3-(3-aminobutyl)-4-methylphenol
CID 130001431
3-[5-(2-butyl-5-hydroxyphenyl)-3,3-dimethoxypentyl]-4-methylphenol
CID 134510319
4-methoxy-3-(3-methylbut-2-enyl)phenol
CID 101027686
4-(3-hydroxypropyl)-3-methylphenol
CID 117276402
3,4-dimethylphenol;hydrofluoride
CID 163210270
3-methyl-4-(7-methyloct-6-enyl)pyridazine
CID 166909771
3-methyl-4-octylphenol
CID 67863636
3-butyl-4-(2-butyl-4-hydroxyphenyl)phenol
CID 23353932

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(5-methylhex-4-enyl)phenol?
The IUPAC name of 4-methyl-3-(5-methylhex-4-enyl)phenol (CID 53361663) is 4-methyl-3-(5-methylhex-4-enyl)phenol.
What is the SMILES notation for 4-methyl-3-(5-methylhex-4-enyl)phenol?
The canonical SMILES for 4-methyl-3-(5-methylhex-4-enyl)phenol is CC(C)=CCCCc1cc(O)ccc1C.
What is the InChIKey of 4-methyl-3-(5-methylhex-4-enyl)phenol?
The InChIKey is RVSYWNHEJXISGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c1-11(2)6-4-5-7-13-10-14(15)9-8-12(13)3/h6,8-10,15H,4-5,7H2,1-3H3.
What are the key properties of 4-methyl-3-(5-methylhex-4-enyl)phenol?
4-methyl-3-(5-methylhex-4-enyl)phenol has a molecular weight of 204.31 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-methyl-3-(5-methylhex-4-enyl)phenol is sourced from PubChem (CID 53361663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).