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

C19H32O — CID 114753381

IUPAC1-[2,4-di(propan-2-yl)phenyl]heptan-1-ol
SMILESCCCCCCC(O)c1ccc(C(C)C)cc1C(C)C
InChIInChI=1S/C19H32O/c1-6-7-8-9-10-19(20)17-12-11-16(14(2)3)13-18(17)15(4)5/h11-15,19-20H,6-10H2,1-5H3
InChIKeyIKRLCBYLWSOWEQ-UHFFFAOYSA-N
MW276.46 g/mol
LogP5.94
Rot. Bonds8

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

1-[2,4-di(propan-2-yl)phenyl]heptan-1-ol (PubChem CID 114753381) has the molecular formula C19H32O and a molecular weight of 276.46 g/mol. Its IUPAC name is 1-[2,4-di(propan-2-yl)phenyl]heptan-1-ol.

Molecular Properties

Compound Name1-[2,4-di(propan-2-yl)phenyl]heptan-1-ol
PubChem CID114753381
Molecular FormulaC19H32O
Molecular Weight276.46 g/mol
Exact Mass276.25
IUPAC Name1-[2,4-di(propan-2-yl)phenyl]heptan-1-ol
SMILESCCCCCCC(O)c1ccc(C(C)C)cc1C(C)C
InChIInChI=1S/C19H32O/c1-6-7-8-9-10-19(20)17-12-11-16(14(2)3)13-18(17)15(4)5/h11-15,19-20H,6-10H2,1-5H3
InChIKeyIKRLCBYLWSOWEQ-UHFFFAOYSA-N
XLogP5.94
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.46
LogP ≤ 55.94
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]hexan-1-ol
CID 63427128
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-[2,4-di(propan-2-yl)phenyl]octan-1-one
CID 63492659
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
2-(octan-2-ylamino)-1-(4-propan-2-ylphenyl)ethanol
CID 63491374
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
4-(1-hydroxytridecyl)phenol
CID 57120972

Frequently Asked Questions

What is the IUPAC name of 1-[2,4-di(propan-2-yl)phenyl]heptan-1-ol?
The IUPAC name of 1-[2,4-di(propan-2-yl)phenyl]heptan-1-ol (CID 114753381) is 1-[2,4-di(propan-2-yl)phenyl]heptan-1-ol.
What is the SMILES notation for 1-[2,4-di(propan-2-yl)phenyl]heptan-1-ol?
The canonical SMILES for 1-[2,4-di(propan-2-yl)phenyl]heptan-1-ol is CCCCCCC(O)c1ccc(C(C)C)cc1C(C)C.
What is the InChIKey of 1-[2,4-di(propan-2-yl)phenyl]heptan-1-ol?
The InChIKey is IKRLCBYLWSOWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O/c1-6-7-8-9-10-19(20)17-12-11-16(14(2)3)13-18(17)15(4)5/h11-15,19-20H,6-10H2,1-5H3.
What are the key properties of 1-[2,4-di(propan-2-yl)phenyl]heptan-1-ol?
1-[2,4-di(propan-2-yl)phenyl]heptan-1-ol has a molecular weight of 276.46 g/mol, XLogP of 5.94, 8 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]heptan-1-ol is sourced from PubChem (CID 114753381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).