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

C18H28O2 — CID 62214641

IUPAC[2,4-di(propan-2-yl)phenyl]-(oxan-2-yl)methanol
SMILESCC(C)c1ccc(C(O)C2CCCCO2)c(C(C)C)c1
InChIInChI=1S/C18H28O2/c1-12(2)14-8-9-15(16(11-14)13(3)4)18(19)17-7-5-6-10-20-17/h8-9,11-13,17-19H,5-7,10H2,1-4H3
InChIKeyKWUFJDJJHFWIFX-UHFFFAOYSA-N
MW276.42 g/mol
LogP4.54
Rot. Bonds4

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

[2,4-di(propan-2-yl)phenyl]-(oxan-2-yl)methanol (PubChem CID 62214641) has the molecular formula C18H28O2 and a molecular weight of 276.42 g/mol. Its IUPAC name is [2,4-di(propan-2-yl)phenyl]-(oxan-2-yl)methanol.

Molecular Properties

Compound Name[2,4-di(propan-2-yl)phenyl]-(oxan-2-yl)methanol
PubChem CID62214641
Molecular FormulaC18H28O2
Molecular Weight276.42 g/mol
Exact Mass276.21
IUPAC Name[2,4-di(propan-2-yl)phenyl]-(oxan-2-yl)methanol
SMILESCC(C)c1ccc(C(O)C2CCCCO2)c(C(C)C)c1
InChIInChI=1S/C18H28O2/c1-12(2)14-8-9-15(16(11-14)13(3)4)18(19)17-7-5-6-10-20-17/h8-9,11-13,17-19H,5-7,10H2,1-4H3
InChIKeyKWUFJDJJHFWIFX-UHFFFAOYSA-N
XLogP4.54
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2,4-di(propan-2-yl)phenyl]-N-methyl-1-(oxan-2-yl)methanamine
CID 63509253
2-[chloro-[2,4-di(propan-2-yl)phenyl]methyl]oxolane
CID 63431574
cyclohexyl-[2,4-di(propan-2-yl)phenyl]methanol
CID 63426584
[2,4-di(propan-2-yl)phenyl]-(2-methylcyclopentyl)methanol
CID 107181587
(2,4-difluorophenyl)-(oxan-2-yl)methanol
CID 62214447
oxan-2-yl-(4-propan-2-yloxyphenyl)methanol
CID 62215174
2-cyclopentyl-1-[2,4-di(propan-2-yl)phenyl]ethanol
CID 63426963
(3,4-dimethoxyphenyl)-(oxan-2-yl)methanol
CID 62215348
(2,5-dibromo-4-methylphenyl)-(oxan-2-yl)methanol
CID 81474176
(3,5-dimethoxyphenyl)-(oxan-2-yl)methanol
CID 115821693
(4-fluoro-3,5-dimethylphenyl)-(oxan-2-yl)methanol
CID 65296637
[3-(2-methylpropyl)phenyl]-(oxan-2-yl)methanol
CID 115838200

Frequently Asked Questions

What is the IUPAC name of [2,4-di(propan-2-yl)phenyl]-(oxan-2-yl)methanol?
The IUPAC name of [2,4-di(propan-2-yl)phenyl]-(oxan-2-yl)methanol (CID 62214641) is [2,4-di(propan-2-yl)phenyl]-(oxan-2-yl)methanol.
What is the SMILES notation for [2,4-di(propan-2-yl)phenyl]-(oxan-2-yl)methanol?
The canonical SMILES for [2,4-di(propan-2-yl)phenyl]-(oxan-2-yl)methanol is CC(C)c1ccc(C(O)C2CCCCO2)c(C(C)C)c1.
What is the InChIKey of [2,4-di(propan-2-yl)phenyl]-(oxan-2-yl)methanol?
The InChIKey is KWUFJDJJHFWIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O2/c1-12(2)14-8-9-15(16(11-14)13(3)4)18(19)17-7-5-6-10-20-17/h8-9,11-13,17-19H,5-7,10H2,1-4H3.
What are the key properties of [2,4-di(propan-2-yl)phenyl]-(oxan-2-yl)methanol?
[2,4-di(propan-2-yl)phenyl]-(oxan-2-yl)methanol has a molecular weight of 276.42 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,4-di(propan-2-yl)phenyl]-(oxan-2-yl)methanol is sourced from PubChem (CID 62214641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).