4-(6,10,14-trimethylpentadecyl)phenol

C24H42O — CID 152684433

IUPAC4-(6,10,14-trimethylpentadecyl)phenol
SMILESCC(C)CCCC(C)CCCC(C)CCCCCc1ccc(O)cc1
InChIInChI=1S/C24H42O/c1-20(2)10-8-12-22(4)14-9-13-21(3)11-6-5-7-15-23-16-18-24(25)19-17-23/h16-22,25H,5-15H2,1-4H3
InChIKeyZOFXYZOBTXQBSM-UHFFFAOYSA-N
MW346.60 g/mol
LogP7.76
Rot. Bonds14

About 4-(6,10,14-trimethylpentadecyl)phenol

4-(6,10,14-trimethylpentadecyl)phenol (PubChem CID 152684433) has the molecular formula C24H42O and a molecular weight of 346.60 g/mol. Its IUPAC name is 4-(6,10,14-trimethylpentadecyl)phenol.

Molecular Properties

Compound Name4-(6,10,14-trimethylpentadecyl)phenol
PubChem CID152684433
Molecular FormulaC24H42O
Molecular Weight346.60 g/mol
Exact Mass346.32
IUPAC Name4-(6,10,14-trimethylpentadecyl)phenol
SMILESCC(C)CCCC(C)CCCC(C)CCCCCc1ccc(O)cc1
InChIInChI=1S/C24H42O/c1-20(2)10-8-12-22(4)14-9-13-21(3)11-6-5-7-15-23-16-18-24(25)19-17-23/h16-22,25H,5-15H2,1-4H3
InChIKeyZOFXYZOBTXQBSM-UHFFFAOYSA-N
XLogP7.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.60
LogP ≤ 57.76
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

1,4-bis(8-methylnonyl)benzene;phosphorous acid
CID 175244550
1,4-bis[(3R)-3,7-dimethyloctyl]benzene
CID 94774977
4-(4-methylpentyl)phenol;phenol
CID 174866001
4-[(7S,11R)-2-(4-hydroxyphenyl)-7,11,15-trimethylhexadecyl]phenol
CID 59780438
4-[11-(4-hydroxyphenyl)undecyl]phenol
CID 23191182
1-(8-methylnonyl)-4-pentylbenzene
CID 158864216
1-(6-methylheptyl)-4-pentylbenzene
CID 158425503
1-(6-methylheptyl)-4-(2-methylpropyl)benzene
CID 140836779
4-(6-methylheptyl)benzoic acid
CID 70349425
4-[3-(5-methylhexylamino)butyl]phenol
CID 115324450
4-[4-(6-methoxyheptyl)phenyl]phenol
CID 139651988
4-octan-2-ylphenol;4-octylphenol
CID 157081049

Frequently Asked Questions

What is the IUPAC name of 4-(6,10,14-trimethylpentadecyl)phenol?
The IUPAC name of 4-(6,10,14-trimethylpentadecyl)phenol (CID 152684433) is 4-(6,10,14-trimethylpentadecyl)phenol.
What is the SMILES notation for 4-(6,10,14-trimethylpentadecyl)phenol?
The canonical SMILES for 4-(6,10,14-trimethylpentadecyl)phenol is CC(C)CCCC(C)CCCC(C)CCCCCc1ccc(O)cc1.
What is the InChIKey of 4-(6,10,14-trimethylpentadecyl)phenol?
The InChIKey is ZOFXYZOBTXQBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42O/c1-20(2)10-8-12-22(4)14-9-13-21(3)11-6-5-7-15-23-16-18-24(25)19-17-23/h16-22,25H,5-15H2,1-4H3.
What are the key properties of 4-(6,10,14-trimethylpentadecyl)phenol?
4-(6,10,14-trimethylpentadecyl)phenol has a molecular weight of 346.60 g/mol, XLogP of 7.76, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,10,14-trimethylpentadecyl)phenol is sourced from PubChem (CID 152684433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).