1-[(E)-1-deuterio-3-phenylprop-2-enyl]naphthalene

C19H16 — CID 177449043

IUPAC1-[(E)-1-deuterio-3-phenylprop-2-enyl]naphthalene
SMILES[2H]C(/C=C/c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C19H16/c1-2-8-16(9-3-1)10-6-12-18-14-7-13-17-11-4-5-15-19(17)18/h1-11,13-15H,12H2/b10-6+/i12D
InChIKeyQQPRKFPIJBXOPJ-VTPJDJJPSA-N
MW245.34 g/mol
LogP5.10
Rot. Bonds3

About 1-[(E)-1-deuterio-3-phenylprop-2-enyl]naphthalene

1-[(E)-1-deuterio-3-phenylprop-2-enyl]naphthalene (PubChem CID 177449043) has the molecular formula C19H16 and a molecular weight of 245.34 g/mol. Its IUPAC name is 1-[(E)-1-deuterio-3-phenylprop-2-enyl]naphthalene.

Molecular Properties

Compound Name1-[(E)-1-deuterio-3-phenylprop-2-enyl]naphthalene
PubChem CID177449043
Molecular FormulaC19H16
Molecular Weight245.34 g/mol
Exact Mass245.13
IUPAC Name1-[(E)-1-deuterio-3-phenylprop-2-enyl]naphthalene
SMILES[2H]C(/C=C/c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C19H16/c1-2-8-16(9-3-1)10-6-12-18-14-7-13-17-11-4-5-15-19(17)18/h1-11,13-15H,12H2/b10-6+/i12D
InChIKeyQQPRKFPIJBXOPJ-VTPJDJJPSA-N
XLogP5.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500245.34
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

dimethyl-(naphthalen-1-ylmethyl)-(3-phenylprop-2-enyl)azanium chloride
CID 73385961
hydron;(E)-N-methyl-N-(naphthalen-1-ylmethyl)-3-phenylprop-2-en-1-amine;chloride
CID 67108133
(E)-N-(naphthalen-1-ylmethyl)-3-phenyl-N-propan-2-ylprop-2-en-1-amine
CID 12912976
1-[(E)-3-(4-methylphenyl)prop-2-enyl]naphthalene
CID 142146166
N-[(E)-3-phenylprop-2-enyl]naphthalen-1-amine
CID 7949251
[(1E)-5-phenylpenta-1,4-dienyl]benzene
CID 91021368
1-methylnaphthalene;stilbene
CID 173370087
1-[2-[2-(2-phenylethenyl)phenyl]ethenyl]naphthalene
CID 71399192
N-(naphthalen-1-ylmethyl)-N-[(E)-4-phenylbut-3-enyl]-1,2,4-triazol-4-amine
CID 44579447
[(E)-3-chloroprop-1-enyl]benzene;hydron
CID 174539817
N-(2-naphthalen-1-ylethyl)-1-phenylmethanimine
CID 154126259
CID 66760372
CID 66760372

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-1-deuterio-3-phenylprop-2-enyl]naphthalene?
The IUPAC name of 1-[(E)-1-deuterio-3-phenylprop-2-enyl]naphthalene (CID 177449043) is 1-[(E)-1-deuterio-3-phenylprop-2-enyl]naphthalene.
What is the SMILES notation for 1-[(E)-1-deuterio-3-phenylprop-2-enyl]naphthalene?
The canonical SMILES for 1-[(E)-1-deuterio-3-phenylprop-2-enyl]naphthalene is [2H]C(/C=C/c1ccccc1)c1cccc2ccccc12.
What is the InChIKey of 1-[(E)-1-deuterio-3-phenylprop-2-enyl]naphthalene?
The InChIKey is QQPRKFPIJBXOPJ-VTPJDJJPSA-N. The full InChI is InChI=1S/C19H16/c1-2-8-16(9-3-1)10-6-12-18-14-7-13-17-11-4-5-15-19(17)18/h1-11,13-15H,12H2/b10-6+/i12D.
What are the key properties of 1-[(E)-1-deuterio-3-phenylprop-2-enyl]naphthalene?
1-[(E)-1-deuterio-3-phenylprop-2-enyl]naphthalene has a molecular weight of 245.34 g/mol, XLogP of 5.10, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-1-deuterio-3-phenylprop-2-enyl]naphthalene is sourced from PubChem (CID 177449043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).