1-methyl-4-[(E)-1-[2-(naphthalen-1-ylmethyl)phenyl]prop-1-enyl]naphthalene

C31H26 — CID 140626136

IUPAC1-methyl-4-[(E)-1-[2-(naphthalen-1-ylmethyl)phenyl]prop-1-enyl]naphthalene
SMILESC/C=C(\c1ccccc1Cc1cccc2ccccc12)c1ccc(C)c2ccccc12
InChIInChI=1S/C31H26/c1-3-26(31-20-19-22(2)27-15-8-9-18-30(27)31)29-17-7-5-12-25(29)21-24-14-10-13-23-11-4-6-16-28(23)24/h3-20H,21H2,1-2H3/b26-3+
InChIKeyXEZCEQGPLKOBPW-MMUGAPOKSA-N
MW398.55 g/mol
LogP8.34
Rot. Bonds4

About 1-methyl-4-[(E)-1-[2-(naphthalen-1-ylmethyl)phenyl]prop-1-enyl]naphthalene

1-methyl-4-[(E)-1-[2-(naphthalen-1-ylmethyl)phenyl]prop-1-enyl]naphthalene (PubChem CID 140626136) has the molecular formula C31H26 and a molecular weight of 398.55 g/mol. Its IUPAC name is 1-methyl-4-[(E)-1-[2-(naphthalen-1-ylmethyl)phenyl]prop-1-enyl]naphthalene.

Molecular Properties

Compound Name1-methyl-4-[(E)-1-[2-(naphthalen-1-ylmethyl)phenyl]prop-1-enyl]naphthalene
PubChem CID140626136
Molecular FormulaC31H26
Molecular Weight398.55 g/mol
Exact Mass398.20
IUPAC Name1-methyl-4-[(E)-1-[2-(naphthalen-1-ylmethyl)phenyl]prop-1-enyl]naphthalene
SMILESC/C=C(\c1ccccc1Cc1cccc2ccccc12)c1ccc(C)c2ccccc12
InChIInChI=1S/C31H26/c1-3-26(31-20-19-22(2)27-15-8-9-18-30(27)31)29-17-7-5-12-25(29)21-24-14-10-13-23-11-4-6-16-28(23)24/h3-20H,21H2,1-2H3/b26-3+
InChIKeyXEZCEQGPLKOBPW-MMUGAPOKSA-N
XLogP8.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.55
LogP ≤ 58.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-4-[[4-(naphthalen-1-ylmethyl)naphthalen-1-yl]methyl]naphthalene
CID 123365008
CID 66760372
CID 66760372
1-(1-phenylprop-1-enyl)naphthalene
CID 54216225
1-[(E)-but-2-en-2-yl]-4-methylnaphthalene
CID 144623185
2-(naphthalen-1-ylmethyl)naphthalen-1-ol
CID 15617878
1-methyl-4-(3-methylbut-2-en-2-yl)naphthalene
CID 58760824
N,4-dimethylnaphthalene-1-carboxamide
CID 90054861
acetaldehyde;N-methyl-2-naphthalen-1-ylethanamine
CID 142942330
2-hydroxy-6-(naphthalen-1-ylmethyl)benzonitrile
CID 10801253
1-benzylnaphthalene;N-methylmethanamine
CID 70612820
1,2-dimethylnaphthalene;1-ethylnaphthalene
CID 158986916
CID 57419547
CID 57419547

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(E)-1-[2-(naphthalen-1-ylmethyl)phenyl]prop-1-enyl]naphthalene?
The IUPAC name of 1-methyl-4-[(E)-1-[2-(naphthalen-1-ylmethyl)phenyl]prop-1-enyl]naphthalene (CID 140626136) is 1-methyl-4-[(E)-1-[2-(naphthalen-1-ylmethyl)phenyl]prop-1-enyl]naphthalene.
What is the SMILES notation for 1-methyl-4-[(E)-1-[2-(naphthalen-1-ylmethyl)phenyl]prop-1-enyl]naphthalene?
The canonical SMILES for 1-methyl-4-[(E)-1-[2-(naphthalen-1-ylmethyl)phenyl]prop-1-enyl]naphthalene is C/C=C(\c1ccccc1Cc1cccc2ccccc12)c1ccc(C)c2ccccc12.
What is the InChIKey of 1-methyl-4-[(E)-1-[2-(naphthalen-1-ylmethyl)phenyl]prop-1-enyl]naphthalene?
The InChIKey is XEZCEQGPLKOBPW-MMUGAPOKSA-N. The full InChI is InChI=1S/C31H26/c1-3-26(31-20-19-22(2)27-15-8-9-18-30(27)31)29-17-7-5-12-25(29)21-24-14-10-13-23-11-4-6-16-28(23)24/h3-20H,21H2,1-2H3/b26-3+.
What are the key properties of 1-methyl-4-[(E)-1-[2-(naphthalen-1-ylmethyl)phenyl]prop-1-enyl]naphthalene?
1-methyl-4-[(E)-1-[2-(naphthalen-1-ylmethyl)phenyl]prop-1-enyl]naphthalene has a molecular weight of 398.55 g/mol, XLogP of 8.34, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(E)-1-[2-(naphthalen-1-ylmethyl)phenyl]prop-1-enyl]naphthalene is sourced from PubChem (CID 140626136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).