1-benzyl-2-prop-2-enylnaphthalene

C20H18 — CID 173093978

IUPAC1-benzyl-2-prop-2-enylnaphthalene
SMILESC=CCc1ccc2ccccc2c1Cc1ccccc1
InChIInChI=1S/C20H18/c1-2-8-17-13-14-18-11-6-7-12-19(18)20(17)15-16-9-4-3-5-10-16/h2-7,9-14H,1,8,15H2
InChIKeyUPMNFDRWUDUFBG-UHFFFAOYSA-N
MW258.36 g/mol
LogP5.16
Rot. Bonds4

About 1-benzyl-2-prop-2-enylnaphthalene

1-benzyl-2-prop-2-enylnaphthalene (PubChem CID 173093978) has the molecular formula C20H18 and a molecular weight of 258.36 g/mol. Its IUPAC name is 1-benzyl-2-prop-2-enylnaphthalene.

Molecular Properties

Compound Name1-benzyl-2-prop-2-enylnaphthalene
PubChem CID173093978
Molecular FormulaC20H18
Molecular Weight258.36 g/mol
Exact Mass258.14
IUPAC Name1-benzyl-2-prop-2-enylnaphthalene
SMILESC=CCc1ccc2ccccc2c1Cc1ccccc1
InChIInChI=1S/C20H18/c1-2-8-17-13-14-18-11-6-7-12-19(18)20(17)15-16-9-4-3-5-10-16/h2-7,9-14H,1,8,15H2
InChIKeyUPMNFDRWUDUFBG-UHFFFAOYSA-N
XLogP5.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.36
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-2-prop-2-enylnaphthalene
CID 90721698
2-(2-prop-2-enylnaphthalen-1-yl)ethanol
CID 138550919
3-benzyl-1-prop-2-enylnaphthalen-2-ol
CID 164665597
3-benzyl-4-prop-2-enylphthalic acid
CID 66633539
CID 119080224
CID 119080224
2,3-dibenzyl-4-prop-2-enylthiophene
CID 90003095
(4-prop-2-enylnaphthalen-1-yl)methanol
CID 177415182
1-benzyl-2-(2-prop-2-enylphenyl)benzene
CID 173274137
formaldehyde;1-prop-2-enylnaphthalene
CID 69326534
1-benzyl-N-methylnaphthalen-2-amine
CID 174703862
prop-2-enylbenzene
CID 159998516
3-prop-2-enylphenanthrene
CID 141440932

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-prop-2-enylnaphthalene?
The IUPAC name of 1-benzyl-2-prop-2-enylnaphthalene (CID 173093978) is 1-benzyl-2-prop-2-enylnaphthalene.
What is the SMILES notation for 1-benzyl-2-prop-2-enylnaphthalene?
The canonical SMILES for 1-benzyl-2-prop-2-enylnaphthalene is C=CCc1ccc2ccccc2c1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2-prop-2-enylnaphthalene?
The InChIKey is UPMNFDRWUDUFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18/c1-2-8-17-13-14-18-11-6-7-12-19(18)20(17)15-16-9-4-3-5-10-16/h2-7,9-14H,1,8,15H2.
What are the key properties of 1-benzyl-2-prop-2-enylnaphthalene?
1-benzyl-2-prop-2-enylnaphthalene has a molecular weight of 258.36 g/mol, XLogP of 5.16, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-prop-2-enylnaphthalene is sourced from PubChem (CID 173093978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).