(E)-1-(3-methylphenyl)-2-(2-methyl-5-prop-1-en-2-ylphenyl)prop-1-en-1-ol

C20H22O — CID 143103335

IUPAC(E)-1-(3-methylphenyl)-2-(2-methyl-5-prop-1-en-2-ylphenyl)prop-1-en-1-ol
SMILESC=C(C)c1ccc(C)c(/C(C)=C(/O)c2cccc(C)c2)c1
InChIInChI=1S/C20H22O/c1-13(2)17-10-9-15(4)19(12-17)16(5)20(21)18-8-6-7-14(3)11-18/h6-12,21H,1H2,2-5H3/b20-16+
InChIKeyFLSYXNKUNDTCEN-CAPFRKAQSA-N
MW278.40 g/mol
LogP5.78
Rot. Bonds3

About (E)-1-(3-methylphenyl)-2-(2-methyl-5-prop-1-en-2-ylphenyl)prop-1-en-1-ol

(E)-1-(3-methylphenyl)-2-(2-methyl-5-prop-1-en-2-ylphenyl)prop-1-en-1-ol (PubChem CID 143103335) has the molecular formula C20H22O and a molecular weight of 278.40 g/mol. Its IUPAC name is (E)-1-(3-methylphenyl)-2-(2-methyl-5-prop-1-en-2-ylphenyl)prop-1-en-1-ol.

Molecular Properties

Compound Name(E)-1-(3-methylphenyl)-2-(2-methyl-5-prop-1-en-2-ylphenyl)prop-1-en-1-ol
PubChem CID143103335
Molecular FormulaC20H22O
Molecular Weight278.40 g/mol
Exact Mass278.17
IUPAC Name(E)-1-(3-methylphenyl)-2-(2-methyl-5-prop-1-en-2-ylphenyl)prop-1-en-1-ol
SMILESC=C(C)c1ccc(C)c(/C(C)=C(/O)c2cccc(C)c2)c1
InChIInChI=1S/C20H22O/c1-13(2)17-10-9-15(4)19(12-17)16(5)20(21)18-8-6-7-14(3)11-18/h6-12,21H,1H2,2-5H3/b20-16+
InChIKeyFLSYXNKUNDTCEN-CAPFRKAQSA-N
XLogP5.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.40
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-1-(3-methylphenyl)-2-(2-methyl-5-prop-1-en-2-ylphenyl)prop-1-en-1-ol with MolForge

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

Launch Full Analysis

Related Compounds

ethane;ethene;1-methyl-3-prop-1-en-2-ylbenzene
CID 142829669
1-methyl-4-prop-1-en-2-ylbenzene;1,2,4-trimethylbenzene
CID 143923034
1-[3,4-bis(prop-1-en-2-yl)phenyl]-4-phenylpent-4-en-1-one;1,3-xylene
CID 143885745
prop-1-en-2-ylbenzene;silane
CID 174724970
ethane;tris(prop-1-en-2-ylbenzene)
CID 161299444
(1E)-1-(3,4-difluorophenyl)-3-methyl-2-(2-methyl-5-prop-1-en-2-ylphenyl)buta-1,3-dien-1-ol;prop-1-ene
CID 143103458
CID 23599187
CID 23599187
2-methyl-4-prop-1-en-2-ylbenzoic acid
CID 130288134
1,4-dimethyl-2-[(1Z)-3-methyl-1-phenylbuta-1,3-dienyl]benzene
CID 142303398
1,2,4-tris(prop-1-en-2-yl)benzene
CID 11194966
dilithium;hydride;tetrakis(prop-1-en-2-ylbenzene)
CID 173210084
2-(difluoromethyl)-1-methyl-4-prop-1-en-2-ylbenzene
CID 155472911

Frequently Asked Questions

What is the IUPAC name of (E)-1-(3-methylphenyl)-2-(2-methyl-5-prop-1-en-2-ylphenyl)prop-1-en-1-ol?
The IUPAC name of (E)-1-(3-methylphenyl)-2-(2-methyl-5-prop-1-en-2-ylphenyl)prop-1-en-1-ol (CID 143103335) is (E)-1-(3-methylphenyl)-2-(2-methyl-5-prop-1-en-2-ylphenyl)prop-1-en-1-ol.
What is the SMILES notation for (E)-1-(3-methylphenyl)-2-(2-methyl-5-prop-1-en-2-ylphenyl)prop-1-en-1-ol?
The canonical SMILES for (E)-1-(3-methylphenyl)-2-(2-methyl-5-prop-1-en-2-ylphenyl)prop-1-en-1-ol is C=C(C)c1ccc(C)c(/C(C)=C(/O)c2cccc(C)c2)c1.
What is the InChIKey of (E)-1-(3-methylphenyl)-2-(2-methyl-5-prop-1-en-2-ylphenyl)prop-1-en-1-ol?
The InChIKey is FLSYXNKUNDTCEN-CAPFRKAQSA-N. The full InChI is InChI=1S/C20H22O/c1-13(2)17-10-9-15(4)19(12-17)16(5)20(21)18-8-6-7-14(3)11-18/h6-12,21H,1H2,2-5H3/b20-16+.
What are the key properties of (E)-1-(3-methylphenyl)-2-(2-methyl-5-prop-1-en-2-ylphenyl)prop-1-en-1-ol?
(E)-1-(3-methylphenyl)-2-(2-methyl-5-prop-1-en-2-ylphenyl)prop-1-en-1-ol has a molecular weight of 278.40 g/mol, XLogP of 5.78, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(3-methylphenyl)-2-(2-methyl-5-prop-1-en-2-ylphenyl)prop-1-en-1-ol is sourced from PubChem (CID 143103335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).