2,2,4-trimethyl-3-(2-propan-2-yloxyphenyl)pentan-3-ol

C17H28O2 — CID 10999932

IUPAC2,2,4-trimethyl-3-(2-propan-2-yloxyphenyl)pentan-3-ol
SMILESCC(C)Oc1ccccc1C(O)(C(C)C)C(C)(C)C
InChIInChI=1S/C17H28O2/c1-12(2)17(18,16(5,6)7)14-10-8-9-11-15(14)19-13(3)4/h8-13,18H,1-7H3
InChIKeyRIWUMXQIWAUDCV-UHFFFAOYSA-N
MW264.41 g/mol
LogP4.36
Rot. Bonds4

About 2,2,4-trimethyl-3-(2-propan-2-yloxyphenyl)pentan-3-ol

2,2,4-trimethyl-3-(2-propan-2-yloxyphenyl)pentan-3-ol (PubChem CID 10999932) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is 2,2,4-trimethyl-3-(2-propan-2-yloxyphenyl)pentan-3-ol.

Molecular Properties

Compound Name2,2,4-trimethyl-3-(2-propan-2-yloxyphenyl)pentan-3-ol
PubChem CID10999932
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Name2,2,4-trimethyl-3-(2-propan-2-yloxyphenyl)pentan-3-ol
SMILESCC(C)Oc1ccccc1C(O)(C(C)C)C(C)(C)C
InChIInChI=1S/C17H28O2/c1-12(2)17(18,16(5,6)7)14-10-8-9-11-15(14)19-13(3)4/h8-13,18H,1-7H3
InChIKeyRIWUMXQIWAUDCV-UHFFFAOYSA-N
XLogP4.36
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-dimethyl-4-(2-propan-2-yloxyphenyl)heptan-4-ol
CID 114865145
2-[2-[2-(2-hydroxypropan-2-yl)-N-(2-propan-2-yloxyphenyl)anilino]phenyl]propan-2-ol
CID 159965657
4,4,5,5,6,6,6-heptafluoro-2-(2-propan-2-yloxyphenyl)hexan-2-ol
CID 156764380
1-cyclobutyl-2-(2-propan-2-yloxyphenyl)propan-2-ol
CID 113490178
(2R)-2-amino-3-phenyl-1,1-bis(2-propan-2-yloxyphenyl)propan-1-ol
CID 70633857
2-methyl-1-(2-propan-2-yloxyanilino)propan-2-ol
CID 39246107
2-(methylamino)-3-phenyl-1,1-bis(2-propan-2-yloxyphenyl)propan-1-ol
CID 13210134
2-fluoro-2-(2-propan-2-yloxyphenyl)butan-1-amine
CID 112566082
1-[2-(2-phenylpropan-2-yl)phenoxy]ethanol
CID 174757084
2-(4-propan-2-yloxy-3-pyridinyl)propan-2-ol
CID 84666329
2-(2-methoxyphenyl)-3,3-dimethylbutan-2-ol
CID 591994
2-hydroxy-2-methyl-1-(2-propan-2-yloxyphenyl)butan-1-one
CID 103446686

Frequently Asked Questions

What is the IUPAC name of 2,2,4-trimethyl-3-(2-propan-2-yloxyphenyl)pentan-3-ol?
The IUPAC name of 2,2,4-trimethyl-3-(2-propan-2-yloxyphenyl)pentan-3-ol (CID 10999932) is 2,2,4-trimethyl-3-(2-propan-2-yloxyphenyl)pentan-3-ol.
What is the SMILES notation for 2,2,4-trimethyl-3-(2-propan-2-yloxyphenyl)pentan-3-ol?
The canonical SMILES for 2,2,4-trimethyl-3-(2-propan-2-yloxyphenyl)pentan-3-ol is CC(C)Oc1ccccc1C(O)(C(C)C)C(C)(C)C.
What is the InChIKey of 2,2,4-trimethyl-3-(2-propan-2-yloxyphenyl)pentan-3-ol?
The InChIKey is RIWUMXQIWAUDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O2/c1-12(2)17(18,16(5,6)7)14-10-8-9-11-15(14)19-13(3)4/h8-13,18H,1-7H3.
What are the key properties of 2,2,4-trimethyl-3-(2-propan-2-yloxyphenyl)pentan-3-ol?
2,2,4-trimethyl-3-(2-propan-2-yloxyphenyl)pentan-3-ol has a molecular weight of 264.41 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethyl-3-(2-propan-2-yloxyphenyl)pentan-3-ol is sourced from PubChem (CID 10999932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).