1-[3-ethyl-2-phenyl-4,6-di(propan-2-yl)phenyl]ethanol

C22H30O — CID 22005163

IUPAC1-[3-ethyl-2-phenyl-4,6-di(propan-2-yl)phenyl]ethanol
SMILESCCc1c(C(C)C)cc(C(C)C)c(C(C)O)c1-c1ccccc1
InChIInChI=1S/C22H30O/c1-7-18-19(14(2)3)13-20(15(4)5)21(16(6)23)22(18)17-11-9-8-10-12-17/h8-16,23H,7H2,1-6H3
InChIKeyHTOIKIOVMJVPFB-UHFFFAOYSA-N
MW310.48 g/mol
LogP6.22
Rot. Bonds5

About 1-[3-ethyl-2-phenyl-4,6-di(propan-2-yl)phenyl]ethanol

1-[3-ethyl-2-phenyl-4,6-di(propan-2-yl)phenyl]ethanol (PubChem CID 22005163) has the molecular formula C22H30O and a molecular weight of 310.48 g/mol. Its IUPAC name is 1-[3-ethyl-2-phenyl-4,6-di(propan-2-yl)phenyl]ethanol.

Molecular Properties

Compound Name1-[3-ethyl-2-phenyl-4,6-di(propan-2-yl)phenyl]ethanol
PubChem CID22005163
Molecular FormulaC22H30O
Molecular Weight310.48 g/mol
Exact Mass310.23
IUPAC Name1-[3-ethyl-2-phenyl-4,6-di(propan-2-yl)phenyl]ethanol
SMILESCCc1c(C(C)C)cc(C(C)C)c(C(C)O)c1-c1ccccc1
InChIInChI=1S/C22H30O/c1-7-18-19(14(2)3)13-20(15(4)5)21(16(6)23)22(18)17-11-9-8-10-12-17/h8-16,23H,7H2,1-6H3
InChIKeyHTOIKIOVMJVPFB-UHFFFAOYSA-N
XLogP6.22
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 ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-[3-ethyl-2-phenyl-4,6-di(propan-2-yl)phenyl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-ethyl-2-phenyl-4,6-di(propan-2-yl)phenyl]ethanol?
The IUPAC name of 1-[3-ethyl-2-phenyl-4,6-di(propan-2-yl)phenyl]ethanol (CID 22005163) is 1-[3-ethyl-2-phenyl-4,6-di(propan-2-yl)phenyl]ethanol.
What is the SMILES notation for 1-[3-ethyl-2-phenyl-4,6-di(propan-2-yl)phenyl]ethanol?
The canonical SMILES for 1-[3-ethyl-2-phenyl-4,6-di(propan-2-yl)phenyl]ethanol is CCc1c(C(C)C)cc(C(C)C)c(C(C)O)c1-c1ccccc1.
What is the InChIKey of 1-[3-ethyl-2-phenyl-4,6-di(propan-2-yl)phenyl]ethanol?
The InChIKey is HTOIKIOVMJVPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30O/c1-7-18-19(14(2)3)13-20(15(4)5)21(16(6)23)22(18)17-11-9-8-10-12-17/h8-16,23H,7H2,1-6H3.
What are the key properties of 1-[3-ethyl-2-phenyl-4,6-di(propan-2-yl)phenyl]ethanol?
1-[3-ethyl-2-phenyl-4,6-di(propan-2-yl)phenyl]ethanol has a molecular weight of 310.48 g/mol, XLogP of 6.22, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethyl-2-phenyl-4,6-di(propan-2-yl)phenyl]ethanol is sourced from PubChem (CID 22005163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).