[2,4-di(propan-2-yl)phenyl]-(2-methylcyclopentyl)methanol

C19H30O — CID 107181587

IUPAC[2,4-di(propan-2-yl)phenyl]-(2-methylcyclopentyl)methanol
SMILESCC(C)c1ccc(C(O)C2CCCC2C)c(C(C)C)c1
InChIInChI=1S/C19H30O/c1-12(2)15-9-10-17(18(11-15)13(3)4)19(20)16-8-6-7-14(16)5/h9-14,16,19-20H,6-8H2,1-5H3
InChIKeyAUPAVJBLEVYMDJ-UHFFFAOYSA-N
MW274.45 g/mol
LogP5.40
Rot. Bonds4

About [2,4-di(propan-2-yl)phenyl]-(2-methylcyclopentyl)methanol

[2,4-di(propan-2-yl)phenyl]-(2-methylcyclopentyl)methanol (PubChem CID 107181587) has the molecular formula C19H30O and a molecular weight of 274.45 g/mol. Its IUPAC name is [2,4-di(propan-2-yl)phenyl]-(2-methylcyclopentyl)methanol.

Molecular Properties

Compound Name[2,4-di(propan-2-yl)phenyl]-(2-methylcyclopentyl)methanol
PubChem CID107181587
Molecular FormulaC19H30O
Molecular Weight274.45 g/mol
Exact Mass274.23
IUPAC Name[2,4-di(propan-2-yl)phenyl]-(2-methylcyclopentyl)methanol
SMILESCC(C)c1ccc(C(O)C2CCCC2C)c(C(C)C)c1
InChIInChI=1S/C19H30O/c1-12(2)15-9-10-17(18(11-15)13(3)4)19(20)16-8-6-7-14(16)5/h9-14,16,19-20H,6-8H2,1-5H3
InChIKeyAUPAVJBLEVYMDJ-UHFFFAOYSA-N
XLogP5.40
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.45
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [2,4-di(propan-2-yl)phenyl]-(2-methylcyclopentyl)methanol?
The IUPAC name of [2,4-di(propan-2-yl)phenyl]-(2-methylcyclopentyl)methanol (CID 107181587) is [2,4-di(propan-2-yl)phenyl]-(2-methylcyclopentyl)methanol.
What is the SMILES notation for [2,4-di(propan-2-yl)phenyl]-(2-methylcyclopentyl)methanol?
The canonical SMILES for [2,4-di(propan-2-yl)phenyl]-(2-methylcyclopentyl)methanol is CC(C)c1ccc(C(O)C2CCCC2C)c(C(C)C)c1.
What is the InChIKey of [2,4-di(propan-2-yl)phenyl]-(2-methylcyclopentyl)methanol?
The InChIKey is AUPAVJBLEVYMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O/c1-12(2)15-9-10-17(18(11-15)13(3)4)19(20)16-8-6-7-14(16)5/h9-14,16,19-20H,6-8H2,1-5H3.
What are the key properties of [2,4-di(propan-2-yl)phenyl]-(2-methylcyclopentyl)methanol?
[2,4-di(propan-2-yl)phenyl]-(2-methylcyclopentyl)methanol has a molecular weight of 274.45 g/mol, XLogP of 5.40, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2,4-di(propan-2-yl)phenyl]-(2-methylcyclopentyl)methanol is sourced from PubChem (CID 107181587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).