2-[2-tert-butyl-3-(2-hydroxyethyl)-5-methylphenyl]ethanol

C15H24O2 — CID 70965594

IUPAC2-[2-tert-butyl-3-(2-hydroxyethyl)-5-methylphenyl]ethanol
SMILESCc1cc(CCO)c(C(C)(C)C)c(CCO)c1
InChIInChI=1S/C15H24O2/c1-11-9-12(5-7-16)14(15(2,3)4)13(10-11)6-8-17/h9-10,16-17H,5-8H2,1-4H3
InChIKeyQFPWNOXSVOOSCH-UHFFFAOYSA-N
MW236.35 g/mol
LogP2.36
Rot. Bonds4

About 2-[2-tert-butyl-3-(2-hydroxyethyl)-5-methylphenyl]ethanol

2-[2-tert-butyl-3-(2-hydroxyethyl)-5-methylphenyl]ethanol (PubChem CID 70965594) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 2-[2-tert-butyl-3-(2-hydroxyethyl)-5-methylphenyl]ethanol.

Molecular Properties

Compound Name2-[2-tert-butyl-3-(2-hydroxyethyl)-5-methylphenyl]ethanol
PubChem CID70965594
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name2-[2-tert-butyl-3-(2-hydroxyethyl)-5-methylphenyl]ethanol
SMILESCc1cc(CCO)c(C(C)(C)C)c(CCO)c1
InChIInChI=1S/C15H24O2/c1-11-9-12(5-7-16)14(15(2,3)4)13(10-11)6-8-17/h9-10,16-17H,5-8H2,1-4H3
InChIKeyQFPWNOXSVOOSCH-UHFFFAOYSA-N
XLogP2.36
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-tert-butyl-3-(2-hydroxyethyl)-5-methylphenyl]ethanol?
The IUPAC name of 2-[2-tert-butyl-3-(2-hydroxyethyl)-5-methylphenyl]ethanol (CID 70965594) is 2-[2-tert-butyl-3-(2-hydroxyethyl)-5-methylphenyl]ethanol.
What is the SMILES notation for 2-[2-tert-butyl-3-(2-hydroxyethyl)-5-methylphenyl]ethanol?
The canonical SMILES for 2-[2-tert-butyl-3-(2-hydroxyethyl)-5-methylphenyl]ethanol is Cc1cc(CCO)c(C(C)(C)C)c(CCO)c1.
What is the InChIKey of 2-[2-tert-butyl-3-(2-hydroxyethyl)-5-methylphenyl]ethanol?
The InChIKey is QFPWNOXSVOOSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-11-9-12(5-7-16)14(15(2,3)4)13(10-11)6-8-17/h9-10,16-17H,5-8H2,1-4H3.
What are the key properties of 2-[2-tert-butyl-3-(2-hydroxyethyl)-5-methylphenyl]ethanol?
2-[2-tert-butyl-3-(2-hydroxyethyl)-5-methylphenyl]ethanol has a molecular weight of 236.35 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-tert-butyl-3-(2-hydroxyethyl)-5-methylphenyl]ethanol is sourced from PubChem (CID 70965594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).