1-[4-(3,5-dimethyl-4-propoxyphenyl)-2-[(4-ethylphenyl)methyl]phenyl]ethenol

C28H32O2 — CID 143190664

IUPAC1-[4-(3,5-dimethyl-4-propoxyphenyl)-2-[(4-ethylphenyl)methyl]phenyl]ethenol
SMILESC=C(O)c1ccc(-c2cc(C)c(OCCC)c(C)c2)cc1Cc1ccc(CC)cc1
InChIInChI=1S/C28H32O2/c1-6-14-30-28-19(3)15-25(16-20(28)4)24-12-13-27(21(5)29)26(18-24)17-23-10-8-22(7-2)9-11-23/h8-13,15-16,18,29H,5-7,14,17H2,1-4H3
InChIKeyJCBCHXVHFZLYJG-UHFFFAOYSA-N
MW400.56 g/mol
LogP7.44
Rot. Bonds8

About 1-[4-(3,5-dimethyl-4-propoxyphenyl)-2-[(4-ethylphenyl)methyl]phenyl]ethenol

1-[4-(3,5-dimethyl-4-propoxyphenyl)-2-[(4-ethylphenyl)methyl]phenyl]ethenol (PubChem CID 143190664) has the molecular formula C28H32O2 and a molecular weight of 400.56 g/mol. Its IUPAC name is 1-[4-(3,5-dimethyl-4-propoxyphenyl)-2-[(4-ethylphenyl)methyl]phenyl]ethenol.

Molecular Properties

Compound Name1-[4-(3,5-dimethyl-4-propoxyphenyl)-2-[(4-ethylphenyl)methyl]phenyl]ethenol
PubChem CID143190664
Molecular FormulaC28H32O2
Molecular Weight400.56 g/mol
Exact Mass400.24
IUPAC Name1-[4-(3,5-dimethyl-4-propoxyphenyl)-2-[(4-ethylphenyl)methyl]phenyl]ethenol
SMILESC=C(O)c1ccc(-c2cc(C)c(OCCC)c(C)c2)cc1Cc1ccc(CC)cc1
InChIInChI=1S/C28H32O2/c1-6-14-30-28-19(3)15-25(16-20(28)4)24-12-13-27(21(5)29)26(18-24)17-23-10-8-22(7-2)9-11-23/h8-13,15-16,18,29H,5-7,14,17H2,1-4H3
InChIKeyJCBCHXVHFZLYJG-UHFFFAOYSA-N
XLogP7.44
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.56
LogP ≤ 57.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 1-[4-(3,5-dimethyl-4-propoxyphenyl)-2-[(4-ethylphenyl)methyl]phenyl]ethenol 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-[4-(3,5-dimethyl-4-propoxyphenyl)-2-[(4-ethylphenyl)methyl]phenyl]ethenol?
The IUPAC name of 1-[4-(3,5-dimethyl-4-propoxyphenyl)-2-[(4-ethylphenyl)methyl]phenyl]ethenol (CID 143190664) is 1-[4-(3,5-dimethyl-4-propoxyphenyl)-2-[(4-ethylphenyl)methyl]phenyl]ethenol.
What is the SMILES notation for 1-[4-(3,5-dimethyl-4-propoxyphenyl)-2-[(4-ethylphenyl)methyl]phenyl]ethenol?
The canonical SMILES for 1-[4-(3,5-dimethyl-4-propoxyphenyl)-2-[(4-ethylphenyl)methyl]phenyl]ethenol is C=C(O)c1ccc(-c2cc(C)c(OCCC)c(C)c2)cc1Cc1ccc(CC)cc1.
What is the InChIKey of 1-[4-(3,5-dimethyl-4-propoxyphenyl)-2-[(4-ethylphenyl)methyl]phenyl]ethenol?
The InChIKey is JCBCHXVHFZLYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32O2/c1-6-14-30-28-19(3)15-25(16-20(28)4)24-12-13-27(21(5)29)26(18-24)17-23-10-8-22(7-2)9-11-23/h8-13,15-16,18,29H,5-7,14,17H2,1-4H3.
What are the key properties of 1-[4-(3,5-dimethyl-4-propoxyphenyl)-2-[(4-ethylphenyl)methyl]phenyl]ethenol?
1-[4-(3,5-dimethyl-4-propoxyphenyl)-2-[(4-ethylphenyl)methyl]phenyl]ethenol has a molecular weight of 400.56 g/mol, XLogP of 7.44, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,5-dimethyl-4-propoxyphenyl)-2-[(4-ethylphenyl)methyl]phenyl]ethenol is sourced from PubChem (CID 143190664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).