2-methyl-5-(6-methylhept-5-en-2-yl)phenol

C15H22O — CID 520468

IUPAC2-methyl-5-(6-methylhept-5-en-2-yl)phenol
SMILESCC(C)=CCCC(C)c1ccc(C)c(O)c1
InChIInChI=1S/C15H22O/c1-11(2)6-5-7-12(3)14-9-8-13(4)15(16)10-14/h6,8-10,12,16H,5,7H2,1-4H3
InChIKeyFKWGCEDRLNNZOZ-UHFFFAOYSA-N
MW218.34 g/mol
LogP4.55
Rot. Bonds4

About 2-methyl-5-(6-methylhept-5-en-2-yl)phenol

2-methyl-5-(6-methylhept-5-en-2-yl)phenol (PubChem CID 520468) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 2-methyl-5-(6-methylhept-5-en-2-yl)phenol.

Molecular Properties

Compound Name2-methyl-5-(6-methylhept-5-en-2-yl)phenol
PubChem CID520468
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name2-methyl-5-(6-methylhept-5-en-2-yl)phenol
SMILESCC(C)=CCCC(C)c1ccc(C)c(O)c1
InChIInChI=1S/C15H22O/c1-11(2)6-5-7-12(3)14-9-8-13(4)15(16)10-14/h6,8-10,12,16H,5,7H2,1-4H3
InChIKeyFKWGCEDRLNNZOZ-UHFFFAOYSA-N
XLogP4.55
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(6-methylhept-5-en-2-yl)phenol?
The IUPAC name of 2-methyl-5-(6-methylhept-5-en-2-yl)phenol (CID 520468) is 2-methyl-5-(6-methylhept-5-en-2-yl)phenol.
What is the SMILES notation for 2-methyl-5-(6-methylhept-5-en-2-yl)phenol?
The canonical SMILES for 2-methyl-5-(6-methylhept-5-en-2-yl)phenol is CC(C)=CCCC(C)c1ccc(C)c(O)c1.
What is the InChIKey of 2-methyl-5-(6-methylhept-5-en-2-yl)phenol?
The InChIKey is FKWGCEDRLNNZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O/c1-11(2)6-5-7-12(3)14-9-8-13(4)15(16)10-14/h6,8-10,12,16H,5,7H2,1-4H3.
What are the key properties of 2-methyl-5-(6-methylhept-5-en-2-yl)phenol?
2-methyl-5-(6-methylhept-5-en-2-yl)phenol has a molecular weight of 218.34 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(6-methylhept-5-en-2-yl)phenol is sourced from PubChem (CID 520468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).