1-[(E)-3-(4-methylphenyl)prop-2-enyl]naphthalene

C20H18 — CID 142146166

IUPAC1-[(E)-3-(4-methylphenyl)prop-2-enyl]naphthalene
SMILESCc1ccc(/C=C/Cc2cccc3ccccc23)cc1
InChIInChI=1S/C20H18/c1-16-12-14-17(15-13-16)6-4-8-19-10-5-9-18-7-2-3-11-20(18)19/h2-7,9-15H,8H2,1H3/b6-4+
InChIKeyQBAVFNVJXSRVEQ-GQCTYLIASA-N
MW258.36 g/mol
LogP5.40
Rot. Bonds3

About 1-[(E)-3-(4-methylphenyl)prop-2-enyl]naphthalene

1-[(E)-3-(4-methylphenyl)prop-2-enyl]naphthalene (PubChem CID 142146166) has the molecular formula C20H18 and a molecular weight of 258.36 g/mol. Its IUPAC name is 1-[(E)-3-(4-methylphenyl)prop-2-enyl]naphthalene.

Molecular Properties

Compound Name1-[(E)-3-(4-methylphenyl)prop-2-enyl]naphthalene
PubChem CID142146166
Molecular FormulaC20H18
Molecular Weight258.36 g/mol
Exact Mass258.14
IUPAC Name1-[(E)-3-(4-methylphenyl)prop-2-enyl]naphthalene
SMILESCc1ccc(/C=C/Cc2cccc3ccccc23)cc1
InChIInChI=1S/C20H18/c1-16-12-14-17(15-13-16)6-4-8-19-10-5-9-18-7-2-3-11-20(18)19/h2-7,9-15H,8H2,1H3/b6-4+
InChIKeyQBAVFNVJXSRVEQ-GQCTYLIASA-N
XLogP5.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.36
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

9-[(E)-3-naphthalen-1-ylprop-1-enyl]anthracene
CID 10569477
N-methyl-N-[(E)-3-(4-methylphenyl)prop-2-enyl]naphthalen-1-amine;hydrochloride
CID 141457473
1-methyl-4-[4-[(E)-3-phenylprop-1-enyl]phenyl]benzene
CID 144681083
1-[(E)-1-deuterio-3-phenylprop-2-enyl]naphthalene
CID 177449043
1,4-dimethyl-2-[(E)-3-phenylprop-2-enyl]benzene
CID 11746215
formaldehyde;1-prop-2-enylnaphthalene
CID 69326534
1-methyl-4-[4-[3-[4-[4-(4-methylphenyl)phenyl]phenyl]prop-2-enyl]phenyl]benzene
CID 161223242
dimethyl-(naphthalen-1-ylmethyl)-(3-phenylprop-2-enyl)azanium chloride
CID 73385961
4-methyl-N-(4-methylphenyl)-N-[4-[(E)-2-naphthalen-1-ylethenyl]phenyl]aniline
CID 58933310
2-methyl-6-[(E)-3-phenylprop-2-enyl]phenol
CID 15739153
2-naphthalen-1-ylacetaldehyde
CID 12570786
4-[[(E)-3-(4-methylphenyl)prop-2-enoxy]methyl]naphthalene-2-carbonitrile
CID 177402795

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-(4-methylphenyl)prop-2-enyl]naphthalene?
The IUPAC name of 1-[(E)-3-(4-methylphenyl)prop-2-enyl]naphthalene (CID 142146166) is 1-[(E)-3-(4-methylphenyl)prop-2-enyl]naphthalene.
What is the SMILES notation for 1-[(E)-3-(4-methylphenyl)prop-2-enyl]naphthalene?
The canonical SMILES for 1-[(E)-3-(4-methylphenyl)prop-2-enyl]naphthalene is Cc1ccc(/C=C/Cc2cccc3ccccc23)cc1.
What is the InChIKey of 1-[(E)-3-(4-methylphenyl)prop-2-enyl]naphthalene?
The InChIKey is QBAVFNVJXSRVEQ-GQCTYLIASA-N. The full InChI is InChI=1S/C20H18/c1-16-12-14-17(15-13-16)6-4-8-19-10-5-9-18-7-2-3-11-20(18)19/h2-7,9-15H,8H2,1H3/b6-4+.
What are the key properties of 1-[(E)-3-(4-methylphenyl)prop-2-enyl]naphthalene?
1-[(E)-3-(4-methylphenyl)prop-2-enyl]naphthalene has a molecular weight of 258.36 g/mol, XLogP of 5.40, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-(4-methylphenyl)prop-2-enyl]naphthalene is sourced from PubChem (CID 142146166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).