2-cyclopentyl-1-[2,4-di(propan-2-yl)phenyl]ethanol

C19H30O — CID 63426963

IUPAC2-cyclopentyl-1-[2,4-di(propan-2-yl)phenyl]ethanol
SMILESCC(C)c1ccc(C(O)CC2CCCC2)c(C(C)C)c1
InChIInChI=1S/C19H30O/c1-13(2)16-9-10-17(18(12-16)14(3)4)19(20)11-15-7-5-6-8-15/h9-10,12-15,19-20H,5-8,11H2,1-4H3
InChIKeySNGKYOBTIZBSCZ-UHFFFAOYSA-N
MW274.45 g/mol
LogP5.55
Rot. Bonds5

About 2-cyclopentyl-1-[2,4-di(propan-2-yl)phenyl]ethanol

2-cyclopentyl-1-[2,4-di(propan-2-yl)phenyl]ethanol (PubChem CID 63426963) has the molecular formula C19H30O and a molecular weight of 274.45 g/mol. Its IUPAC name is 2-cyclopentyl-1-[2,4-di(propan-2-yl)phenyl]ethanol.

Molecular Properties

Compound Name2-cyclopentyl-1-[2,4-di(propan-2-yl)phenyl]ethanol
PubChem CID63426963
Molecular FormulaC19H30O
Molecular Weight274.45 g/mol
Exact Mass274.23
IUPAC Name2-cyclopentyl-1-[2,4-di(propan-2-yl)phenyl]ethanol
SMILESCC(C)c1ccc(C(O)CC2CCCC2)c(C(C)C)c1
InChIInChI=1S/C19H30O/c1-13(2)16-9-10-17(18(12-16)14(3)4)19(20)11-15-7-5-6-8-15/h9-10,12-15,19-20H,5-8,11H2,1-4H3
InChIKeySNGKYOBTIZBSCZ-UHFFFAOYSA-N
XLogP5.55
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.45
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cyclohexyl-[2,4-di(propan-2-yl)phenyl]methanol
CID 63426584
(1R)-2-chloro-1-[2,4-di(propan-2-yl)phenyl]ethanol
CID 25324257
cyclobutyl-[2,4-di(propan-2-yl)phenyl]methanamine
CID 43103205
1-cyclopentyl-1-[2,4-di(propan-2-yl)phenyl]-N-methylmethanamine
CID 43484503
1-(4-aminophenyl)-2-cyclopentylethanol
CID 106695429
1-[2,4-di(propan-2-yl)phenyl]hexan-1-ol
CID 63427128
[2,4-di(propan-2-yl)phenyl]-(2-methylcyclopentyl)methanol
CID 107181587
1-(4-bromo-2-methylphenyl)-2-cyclopentylethanol
CID 115789681
[2,4-di(propan-2-yl)phenyl]-(oxan-2-yl)methanol
CID 62214641
2-cycloheptyl-1-(4-propan-2-ylphenyl)ethanamine
CID 114457625
2-cyclopentyl-1-(4-propan-2-yloxyphenyl)ethanol
CID 61086888
2-cyclopentyl-1-(4-ethoxyphenyl)ethanol
CID 61101248

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-[2,4-di(propan-2-yl)phenyl]ethanol?
The IUPAC name of 2-cyclopentyl-1-[2,4-di(propan-2-yl)phenyl]ethanol (CID 63426963) is 2-cyclopentyl-1-[2,4-di(propan-2-yl)phenyl]ethanol.
What is the SMILES notation for 2-cyclopentyl-1-[2,4-di(propan-2-yl)phenyl]ethanol?
The canonical SMILES for 2-cyclopentyl-1-[2,4-di(propan-2-yl)phenyl]ethanol is CC(C)c1ccc(C(O)CC2CCCC2)c(C(C)C)c1.
What is the InChIKey of 2-cyclopentyl-1-[2,4-di(propan-2-yl)phenyl]ethanol?
The InChIKey is SNGKYOBTIZBSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O/c1-13(2)16-9-10-17(18(12-16)14(3)4)19(20)11-15-7-5-6-8-15/h9-10,12-15,19-20H,5-8,11H2,1-4H3.
What are the key properties of 2-cyclopentyl-1-[2,4-di(propan-2-yl)phenyl]ethanol?
2-cyclopentyl-1-[2,4-di(propan-2-yl)phenyl]ethanol has a molecular weight of 274.45 g/mol, XLogP of 5.55, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-[2,4-di(propan-2-yl)phenyl]ethanol is sourced from PubChem (CID 63426963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).