[3-ethyl-2-(4-methylphenyl)-4,6-di(propan-2-yl)phenyl]methanol

C22H30O — CID 22005230

IUPAC[3-ethyl-2-(4-methylphenyl)-4,6-di(propan-2-yl)phenyl]methanol
SMILESCCc1c(C(C)C)cc(C(C)C)c(CO)c1-c1ccc(C)cc1
InChIInChI=1S/C22H30O/c1-7-18-19(14(2)3)12-20(15(4)5)21(13-23)22(18)17-10-8-16(6)9-11-17/h8-12,14-15,23H,7,13H2,1-6H3
InChIKeyIXQUWENXHBPVGZ-UHFFFAOYSA-N
MW310.48 g/mol
LogP5.96
Rot. Bonds5

About [3-ethyl-2-(4-methylphenyl)-4,6-di(propan-2-yl)phenyl]methanol

[3-ethyl-2-(4-methylphenyl)-4,6-di(propan-2-yl)phenyl]methanol (PubChem CID 22005230) has the molecular formula C22H30O and a molecular weight of 310.48 g/mol. Its IUPAC name is [3-ethyl-2-(4-methylphenyl)-4,6-di(propan-2-yl)phenyl]methanol.

Molecular Properties

Compound Name[3-ethyl-2-(4-methylphenyl)-4,6-di(propan-2-yl)phenyl]methanol
PubChem CID22005230
Molecular FormulaC22H30O
Molecular Weight310.48 g/mol
Exact Mass310.23
IUPAC Name[3-ethyl-2-(4-methylphenyl)-4,6-di(propan-2-yl)phenyl]methanol
SMILESCCc1c(C(C)C)cc(C(C)C)c(CO)c1-c1ccc(C)cc1
InChIInChI=1S/C22H30O/c1-7-18-19(14(2)3)12-20(15(4)5)21(13-23)22(18)17-10-8-16(6)9-11-17/h8-12,14-15,23H,7,13H2,1-6H3
InChIKeyIXQUWENXHBPVGZ-UHFFFAOYSA-N
XLogP5.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.48
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [3-ethyl-2-(4-methylphenyl)-4,6-di(propan-2-yl)phenyl]methanol?
The IUPAC name of [3-ethyl-2-(4-methylphenyl)-4,6-di(propan-2-yl)phenyl]methanol (CID 22005230) is [3-ethyl-2-(4-methylphenyl)-4,6-di(propan-2-yl)phenyl]methanol.
What is the SMILES notation for [3-ethyl-2-(4-methylphenyl)-4,6-di(propan-2-yl)phenyl]methanol?
The canonical SMILES for [3-ethyl-2-(4-methylphenyl)-4,6-di(propan-2-yl)phenyl]methanol is CCc1c(C(C)C)cc(C(C)C)c(CO)c1-c1ccc(C)cc1.
What is the InChIKey of [3-ethyl-2-(4-methylphenyl)-4,6-di(propan-2-yl)phenyl]methanol?
The InChIKey is IXQUWENXHBPVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30O/c1-7-18-19(14(2)3)12-20(15(4)5)21(13-23)22(18)17-10-8-16(6)9-11-17/h8-12,14-15,23H,7,13H2,1-6H3.
What are the key properties of [3-ethyl-2-(4-methylphenyl)-4,6-di(propan-2-yl)phenyl]methanol?
[3-ethyl-2-(4-methylphenyl)-4,6-di(propan-2-yl)phenyl]methanol has a molecular weight of 310.48 g/mol, XLogP of 5.96, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethyl-2-(4-methylphenyl)-4,6-di(propan-2-yl)phenyl]methanol is sourced from PubChem (CID 22005230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).