1-[2,4-di(propan-2-yl)phenyl]hexan-1-ol

C18H30O — CID 63427128

IUPAC1-[2,4-di(propan-2-yl)phenyl]hexan-1-ol
SMILESCCCCCC(O)c1ccc(C(C)C)cc1C(C)C
InChIInChI=1S/C18H30O/c1-6-7-8-9-18(19)16-11-10-15(13(2)3)12-17(16)14(4)5/h10-14,18-19H,6-9H2,1-5H3
InChIKeyRWTCTRXNHOIEOT-UHFFFAOYSA-N
MW262.44 g/mol
LogP5.55
Rot. Bonds7

About 1-[2,4-di(propan-2-yl)phenyl]hexan-1-ol

1-[2,4-di(propan-2-yl)phenyl]hexan-1-ol (PubChem CID 63427128) has the molecular formula C18H30O and a molecular weight of 262.44 g/mol. Its IUPAC name is 1-[2,4-di(propan-2-yl)phenyl]hexan-1-ol.

Molecular Properties

Compound Name1-[2,4-di(propan-2-yl)phenyl]hexan-1-ol
PubChem CID63427128
Molecular FormulaC18H30O
Molecular Weight262.44 g/mol
Exact Mass262.23
IUPAC Name1-[2,4-di(propan-2-yl)phenyl]hexan-1-ol
SMILESCCCCCC(O)c1ccc(C(C)C)cc1C(C)C
InChIInChI=1S/C18H30O/c1-6-7-8-9-18(19)16-11-10-15(13(2)3)12-17(16)14(4)5/h10-14,18-19H,6-9H2,1-5H3
InChIKeyRWTCTRXNHOIEOT-UHFFFAOYSA-N
XLogP5.55
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.44
LogP ≤ 55.55
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-[2,4-di(propan-2-yl)phenyl]heptan-1-ol
CID 114753381
1-[2,4-di(propan-2-yl)phenyl]hexan-1-amine
CID 43125390
1-(1-bromoheptyl)-2,4-di(propan-2-yl)benzene
CID 114753582
(1R)-2-chloro-1-[2,4-di(propan-2-yl)phenyl]ethanol
CID 25324257
1-(1-chloro-2-propylpentyl)-2,4-di(propan-2-yl)benzene
CID 82990050
2-cyclopentyl-1-[2,4-di(propan-2-yl)phenyl]ethanol
CID 63426963
(1R)-1-(2-methoxy-5-propan-2-ylphenyl)hexan-1-amine
CID 171216454
1-[2,4-di(propan-2-yl)phenyl]hexan-1-one
CID 43338073
2-hydroxy-3-(1-hydroxybutyl)-6-propan-2-ylcyclohepta-2,4,6-trien-1-one
CID 21459942
(1R)-1-(3-propan-2-ylphenyl)hexan-1-amine
CID 171211984
1-[2,4-di(propan-2-yl)phenyl]octan-1-one
CID 63492659
1-[2,4-di(propan-2-yl)phenyl]-2,2-difluoroethanol
CID 113435253

Frequently Asked Questions

What is the IUPAC name of 1-[2,4-di(propan-2-yl)phenyl]hexan-1-ol?
The IUPAC name of 1-[2,4-di(propan-2-yl)phenyl]hexan-1-ol (CID 63427128) is 1-[2,4-di(propan-2-yl)phenyl]hexan-1-ol.
What is the SMILES notation for 1-[2,4-di(propan-2-yl)phenyl]hexan-1-ol?
The canonical SMILES for 1-[2,4-di(propan-2-yl)phenyl]hexan-1-ol is CCCCCC(O)c1ccc(C(C)C)cc1C(C)C.
What is the InChIKey of 1-[2,4-di(propan-2-yl)phenyl]hexan-1-ol?
The InChIKey is RWTCTRXNHOIEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O/c1-6-7-8-9-18(19)16-11-10-15(13(2)3)12-17(16)14(4)5/h10-14,18-19H,6-9H2,1-5H3.
What are the key properties of 1-[2,4-di(propan-2-yl)phenyl]hexan-1-ol?
1-[2,4-di(propan-2-yl)phenyl]hexan-1-ol has a molecular weight of 262.44 g/mol, XLogP of 5.55, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,4-di(propan-2-yl)phenyl]hexan-1-ol is sourced from PubChem (CID 63427128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).