4-methyl-2-(10-methylundecyl)phenol

C19H32O — CID 19895157

IUPAC4-methyl-2-(10-methylundecyl)phenol
SMILESCc1ccc(O)c(CCCCCCCCCC(C)C)c1
InChIInChI=1S/C19H32O/c1-16(2)11-9-7-5-4-6-8-10-12-18-15-17(3)13-14-19(18)20/h13-16,20H,4-12H2,1-3H3
InChIKeyFWWPYRKQAGSNBQ-UHFFFAOYSA-N
MW276.46 g/mol
LogP6.02
Rot. Bonds10

About 4-methyl-2-(10-methylundecyl)phenol

4-methyl-2-(10-methylundecyl)phenol (PubChem CID 19895157) has the molecular formula C19H32O and a molecular weight of 276.46 g/mol. Its IUPAC name is 4-methyl-2-(10-methylundecyl)phenol.

Molecular Properties

Compound Name4-methyl-2-(10-methylundecyl)phenol
PubChem CID19895157
Molecular FormulaC19H32O
Molecular Weight276.46 g/mol
Exact Mass276.25
IUPAC Name4-methyl-2-(10-methylundecyl)phenol
SMILESCc1ccc(O)c(CCCCCCCCCC(C)C)c1
InChIInChI=1S/C19H32O/c1-16(2)11-9-7-5-4-6-8-10-12-18-15-17(3)13-14-19(18)20/h13-16,20H,4-12H2,1-3H3
InChIKeyFWWPYRKQAGSNBQ-UHFFFAOYSA-N
XLogP6.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.46
LogP ≤ 56.02
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-(4-amino-5-methylhexyl)-4-methylphenol
CID 83922823
2-(4-aminoheptyl)-4-methylphenol
CID 83922824
4-(13-methyltetradecyl)benzene-1,3-diol
CID 10268006
2-methyl-4-(6-methylheptyl)phenol
CID 154140199
2-(6-methylheptyl)benzene-1,3,5-triol
CID 22165808
2,6-bis(6-methylheptyl)phenol
CID 14252215
2-[2-(2-hydroxyphenyl)ethyl]-4-methylphenol
CID 154267038
2-(2-hydroxy-5-methylphenyl)acetic acid
CID 13360645
4-methyl-2-(5-methylheptyl)benzenesulfonic acid
CID 20534379
2-(3,7,11,15-tetramethylhexadecyl)benzene-1,4-diol
CID 10385750
4-[1-(4-hydroxy-3-nonylphenyl)nonyl]-2-nonylphenol
CID 135345643
2-[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;tetrachlorotungsten
CID 153466850

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(10-methylundecyl)phenol?
The IUPAC name of 4-methyl-2-(10-methylundecyl)phenol (CID 19895157) is 4-methyl-2-(10-methylundecyl)phenol.
What is the SMILES notation for 4-methyl-2-(10-methylundecyl)phenol?
The canonical SMILES for 4-methyl-2-(10-methylundecyl)phenol is Cc1ccc(O)c(CCCCCCCCCC(C)C)c1.
What is the InChIKey of 4-methyl-2-(10-methylundecyl)phenol?
The InChIKey is FWWPYRKQAGSNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O/c1-16(2)11-9-7-5-4-6-8-10-12-18-15-17(3)13-14-19(18)20/h13-16,20H,4-12H2,1-3H3.
What are the key properties of 4-methyl-2-(10-methylundecyl)phenol?
4-methyl-2-(10-methylundecyl)phenol has a molecular weight of 276.46 g/mol, XLogP of 6.02, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(10-methylundecyl)phenol is sourced from PubChem (CID 19895157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).