1-(2,4,6-trimethylphenyl)heptan-1-ol

C16H26O — CID 65148082

IUPAC1-(2,4,6-trimethylphenyl)heptan-1-ol
SMILESCCCCCCC(O)c1c(C)cc(C)cc1C
InChIInChI=1S/C16H26O/c1-5-6-7-8-9-15(17)16-13(3)10-12(2)11-14(16)4/h10-11,15,17H,5-9H2,1-4H3
InChIKeyBGQMIILGWZXKOP-UHFFFAOYSA-N
MW234.38 g/mol
LogP4.62
Rot. Bonds6

About 1-(2,4,6-trimethylphenyl)heptan-1-ol

1-(2,4,6-trimethylphenyl)heptan-1-ol (PubChem CID 65148082) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is 1-(2,4,6-trimethylphenyl)heptan-1-ol.

Molecular Properties

Compound Name1-(2,4,6-trimethylphenyl)heptan-1-ol
PubChem CID65148082
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Name1-(2,4,6-trimethylphenyl)heptan-1-ol
SMILESCCCCCCC(O)c1c(C)cc(C)cc1C
InChIInChI=1S/C16H26O/c1-5-6-7-8-9-15(17)16-13(3)10-12(2)11-14(16)4/h10-11,15,17H,5-9H2,1-4H3
InChIKeyBGQMIILGWZXKOP-UHFFFAOYSA-N
XLogP4.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.38
LogP ≤ 54.62
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-fluoro-2,6-dimethylphenyl)heptan-1-ol
CID 106879533
1-(2,4,6-trimethylphenyl)heptan-1-amine
CID 114752275
1,3,5-trimethyl-2-octan-2-ylbenzene
CID 101366430
2-(1-bromononyl)-1,3,5-trimethylbenzene
CID 65428123
1-(2,3,4,5,6-pentamethylphenyl)nonan-1-ol
CID 65426941
1-(2-fluoro-4,6-dimethylphenyl)heptylhydrazine
CID 106884598
N-ethyl-1-(2,4,6-trimethylphenyl)hexan-1-amine
CID 43491113
1-(3-chloro-5-methylphenyl)decan-1-ol
CID 115782985
2,4-dimethyl-6-triacontan-2-ylphenol
CID 19904487
2-(1-chloropentyl)-1,3,5-trimethylbenzene
CID 63431372
2-(propylamino)-1-(2,4,6-trimethylphenyl)ethanol
CID 62774498
1-(2,3,4,5,6-pentafluorophenyl)heptan-1-ol
CID 115783388

Frequently Asked Questions

What is the IUPAC name of 1-(2,4,6-trimethylphenyl)heptan-1-ol?
The IUPAC name of 1-(2,4,6-trimethylphenyl)heptan-1-ol (CID 65148082) is 1-(2,4,6-trimethylphenyl)heptan-1-ol.
What is the SMILES notation for 1-(2,4,6-trimethylphenyl)heptan-1-ol?
The canonical SMILES for 1-(2,4,6-trimethylphenyl)heptan-1-ol is CCCCCCC(O)c1c(C)cc(C)cc1C.
What is the InChIKey of 1-(2,4,6-trimethylphenyl)heptan-1-ol?
The InChIKey is BGQMIILGWZXKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O/c1-5-6-7-8-9-15(17)16-13(3)10-12(2)11-14(16)4/h10-11,15,17H,5-9H2,1-4H3.
What are the key properties of 1-(2,4,6-trimethylphenyl)heptan-1-ol?
1-(2,4,6-trimethylphenyl)heptan-1-ol has a molecular weight of 234.38 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4,6-trimethylphenyl)heptan-1-ol is sourced from PubChem (CID 65148082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).