1-[(E,2S)-4-phenylbut-3-en-2-yl]naphthalene

C20H18 — CID 102229934

IUPAC1-[(E,2S)-4-phenylbut-3-en-2-yl]naphthalene
SMILESC[C@@H](/C=C/c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C20H18/c1-16(14-15-17-8-3-2-4-9-17)19-13-7-11-18-10-5-6-12-20(18)19/h2-16H,1H3/b15-14+/t16-/m0/s1
InChIKeyPFWDZMBCLUETRR-IYOXOMEYSA-N
MW258.36 g/mol
LogP5.66
Rot. Bonds3

About 1-[(E,2S)-4-phenylbut-3-en-2-yl]naphthalene

1-[(E,2S)-4-phenylbut-3-en-2-yl]naphthalene (PubChem CID 102229934) has the molecular formula C20H18 and a molecular weight of 258.36 g/mol. Its IUPAC name is 1-[(E,2S)-4-phenylbut-3-en-2-yl]naphthalene.

Molecular Properties

Compound Name1-[(E,2S)-4-phenylbut-3-en-2-yl]naphthalene
PubChem CID102229934
Molecular FormulaC20H18
Molecular Weight258.36 g/mol
Exact Mass258.14
IUPAC Name1-[(E,2S)-4-phenylbut-3-en-2-yl]naphthalene
SMILESC[C@@H](/C=C/c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C20H18/c1-16(14-15-17-8-3-2-4-9-17)19-13-7-11-18-10-5-6-12-20(18)19/h2-16H,1H3/b15-14+/t16-/m0/s1
InChIKeyPFWDZMBCLUETRR-IYOXOMEYSA-N
XLogP5.66
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 ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2-dimethyl-3-[(E)-4-phenylbut-3-en-2-yl]benzene
CID 18968341
N-(1-naphthalen-1-yl-3-phenylprop-2-enyl)naphthalen-1-amine
CID 139964648
CID 174906138
CID 174906138
N-[(1S)-1-naphthalen-1-ylethyl]-1-phenylmethanimine
CID 139081062
(E)-N-[(1R)-1-naphthalen-1-ylethyl]-3-phenylprop-2-enamide
CID 15828773
1-methylnaphthalene;stilbene
CID 173370087
trimethyl(2-phenylethenyl)phosphanium
CID 69015838
1-(2-methyl-1-naphthalen-1-ylpropyl)naphthalene
CID 174755343
ethane;methane;1-propan-2-ylnaphthalene
CID 160778548
1-[(1R)-1-[[(1R)-1-naphthalen-1-ylethyl]disulfanyl]ethyl]naphthalene
CID 131854345
butane;1-propan-2-ylnaphthalene
CID 157253186
potassium [(1S)-1-naphthalen-1-ylethyl]azanide
CID 100993742

Frequently Asked Questions

What is the IUPAC name of 1-[(E,2S)-4-phenylbut-3-en-2-yl]naphthalene?
The IUPAC name of 1-[(E,2S)-4-phenylbut-3-en-2-yl]naphthalene (CID 102229934) is 1-[(E,2S)-4-phenylbut-3-en-2-yl]naphthalene.
What is the SMILES notation for 1-[(E,2S)-4-phenylbut-3-en-2-yl]naphthalene?
The canonical SMILES for 1-[(E,2S)-4-phenylbut-3-en-2-yl]naphthalene is C[C@@H](/C=C/c1ccccc1)c1cccc2ccccc12.
What is the InChIKey of 1-[(E,2S)-4-phenylbut-3-en-2-yl]naphthalene?
The InChIKey is PFWDZMBCLUETRR-IYOXOMEYSA-N. The full InChI is InChI=1S/C20H18/c1-16(14-15-17-8-3-2-4-9-17)19-13-7-11-18-10-5-6-12-20(18)19/h2-16H,1H3/b15-14+/t16-/m0/s1.
What are the key properties of 1-[(E,2S)-4-phenylbut-3-en-2-yl]naphthalene?
1-[(E,2S)-4-phenylbut-3-en-2-yl]naphthalene has a molecular weight of 258.36 g/mol, XLogP of 5.66, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E,2S)-4-phenylbut-3-en-2-yl]naphthalene is sourced from PubChem (CID 102229934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).