2-(4-ethenyl-3-propylphenyl)-6-methylnaphthalene

C22H22 — CID 177009018

IUPAC2-(4-ethenyl-3-propylphenyl)-6-methylnaphthalene
SMILESC=Cc1ccc(-c2ccc3cc(C)ccc3c2)cc1CCC
InChIInChI=1S/C22H22/c1-4-6-18-14-21(10-9-17(18)5-2)22-12-11-19-13-16(3)7-8-20(19)15-22/h5,7-15H,2,4,6H2,1,3H3
InChIKeyAYVAQFYNIBCAPZ-UHFFFAOYSA-N
MW286.42 g/mol
LogP6.41
Rot. Bonds4

About 2-(4-ethenyl-3-propylphenyl)-6-methylnaphthalene

2-(4-ethenyl-3-propylphenyl)-6-methylnaphthalene (PubChem CID 177009018) has the molecular formula C22H22 and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-(4-ethenyl-3-propylphenyl)-6-methylnaphthalene.

Molecular Properties

Compound Name2-(4-ethenyl-3-propylphenyl)-6-methylnaphthalene
PubChem CID177009018
Molecular FormulaC22H22
Molecular Weight286.42 g/mol
Exact Mass286.17
IUPAC Name2-(4-ethenyl-3-propylphenyl)-6-methylnaphthalene
SMILESC=Cc1ccc(-c2ccc3cc(C)ccc3c2)cc1CCC
InChIInChI=1S/C22H22/c1-4-6-18-14-21(10-9-17(18)5-2)22-12-11-19-13-16(3)7-8-20(19)15-22/h5,7-15H,2,4,6H2,1,3H3
InChIKeyAYVAQFYNIBCAPZ-UHFFFAOYSA-N
XLogP6.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.42
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-(4-ethenyl-3-propylphenyl)-6-methylnaphthalene 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

1-ethenyl-2,4-dipropylbenzene
CID 22033822
1-ethenyl-2-ethyl-4-methylbenzene
CID 18626822
1-ethenyl-2-(2-iodoethyl)-4-methylbenzene
CID 144660846
1-ethenyl-4-iodo-2-propylbenzene
CID 141346319
4-(4-methylphenyl)-1,2-dipropylbenzene
CID 159068290
2-methyl-6-(6-methylnaphthalen-2-yl)anthracene
CID 140780842
1,2-bis(ethenyl)-6-methylnaphthalene;ethane;propane
CID 145447193
1-ethenyl-2-(3-iodopentyl)-4-methylbenzene
CID 66808128
1-ethenyl-2,4-dimethylbenzene
CID 157285903
2-ethenyl-1,7-dimethylnaphthalene
CID 142881924
but-1-ene;2,4-dimethyl-1-propylbenzene;ethane
CID 165130204
2-methyl-6-(4-octylphenyl)naphthalene
CID 59917182

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethenyl-3-propylphenyl)-6-methylnaphthalene?
The IUPAC name of 2-(4-ethenyl-3-propylphenyl)-6-methylnaphthalene (CID 177009018) is 2-(4-ethenyl-3-propylphenyl)-6-methylnaphthalene.
What is the SMILES notation for 2-(4-ethenyl-3-propylphenyl)-6-methylnaphthalene?
The canonical SMILES for 2-(4-ethenyl-3-propylphenyl)-6-methylnaphthalene is C=Cc1ccc(-c2ccc3cc(C)ccc3c2)cc1CCC.
What is the InChIKey of 2-(4-ethenyl-3-propylphenyl)-6-methylnaphthalene?
The InChIKey is AYVAQFYNIBCAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22/c1-4-6-18-14-21(10-9-17(18)5-2)22-12-11-19-13-16(3)7-8-20(19)15-22/h5,7-15H,2,4,6H2,1,3H3.
What are the key properties of 2-(4-ethenyl-3-propylphenyl)-6-methylnaphthalene?
2-(4-ethenyl-3-propylphenyl)-6-methylnaphthalene has a molecular weight of 286.42 g/mol, XLogP of 6.41, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethenyl-3-propylphenyl)-6-methylnaphthalene is sourced from PubChem (CID 177009018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).