azane;(3,4-dimethyl-2-octylphenyl)methanol

C17H31NO — CID 67252247

IUPACazane;(3,4-dimethyl-2-octylphenyl)methanol
SMILESCCCCCCCCc1c(CO)ccc(C)c1C.N
InChIInChI=1S/C17H28O.H3N/c1-4-5-6-7-8-9-10-17-15(3)14(2)11-12-16(17)13-18;/h11-12,18H,4-10,13H2,1-3H3;1H3
InChIKeyTUUKJKNTXUWNFB-UHFFFAOYSA-N
MW265.44 g/mol
LogP4.86
Rot. Bonds8

About azane;(3,4-dimethyl-2-octylphenyl)methanol

azane;(3,4-dimethyl-2-octylphenyl)methanol (PubChem CID 67252247) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is azane;(3,4-dimethyl-2-octylphenyl)methanol.

Molecular Properties

Compound Nameazane;(3,4-dimethyl-2-octylphenyl)methanol
PubChem CID67252247
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC Nameazane;(3,4-dimethyl-2-octylphenyl)methanol
SMILESCCCCCCCCc1c(CO)ccc(C)c1C.N
InChIInChI=1S/C17H28O.H3N/c1-4-5-6-7-8-9-10-17-15(3)14(2)11-12-16(17)13-18;/h11-12,18H,4-10,13H2,1-3H3;1H3
InChIKeyTUUKJKNTXUWNFB-UHFFFAOYSA-N
XLogP4.86
TPSA55.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,2-dimethyl-3,4-dioctylbenzene
CID 175311687
azane;1-(chloromethyl)-3,4-dimethyl-2-octylbenzene
CID 66778817
1-(bromomethyl)-2-hexadecyl-3,4-dimethylbenzene
CID 70008844
2,3-dimethyl-6-octylphenol
CID 141122420
1-bromo-3,4-dimethyl-2-octylbenzene
CID 174984936
azane;3,4-dimethyl-2-nonylbenzenesulfonic acid
CID 173344660
2,6-dimethyl-3-pentylphenol
CID 22762210
2,3-dimethyl-6-tridecylbenzenesulfonic acid
CID 14205936
(2-octylphenyl)methanol
CID 19826681
2,3-dimethyl-1,4-dipentylbenzene
CID 54478491
azane;1-decyl-2,3-dimethylbenzene;hydrate
CID 174675361
(3,4-didecyl-2-methylphenyl)-trihydroxyphosphanium
CID 172806364

Frequently Asked Questions

What is the IUPAC name of azane;(3,4-dimethyl-2-octylphenyl)methanol?
The IUPAC name of azane;(3,4-dimethyl-2-octylphenyl)methanol (CID 67252247) is azane;(3,4-dimethyl-2-octylphenyl)methanol.
What is the SMILES notation for azane;(3,4-dimethyl-2-octylphenyl)methanol?
The canonical SMILES for azane;(3,4-dimethyl-2-octylphenyl)methanol is CCCCCCCCc1c(CO)ccc(C)c1C.N.
What is the InChIKey of azane;(3,4-dimethyl-2-octylphenyl)methanol?
The InChIKey is TUUKJKNTXUWNFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O.H3N/c1-4-5-6-7-8-9-10-17-15(3)14(2)11-12-16(17)13-18;/h11-12,18H,4-10,13H2,1-3H3;1H3.
What are the key properties of azane;(3,4-dimethyl-2-octylphenyl)methanol?
azane;(3,4-dimethyl-2-octylphenyl)methanol has a molecular weight of 265.44 g/mol, XLogP of 4.86, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;(3,4-dimethyl-2-octylphenyl)methanol is sourced from PubChem (CID 67252247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).