(2Z)-3-ethyl-1-naphthalen-2-ylhexa-2,4-dien-1-one

C18H18O — CID 123874564

IUPAC(2Z)-3-ethyl-1-naphthalen-2-ylhexa-2,4-dien-1-one
SMILESCC=C/C(=C\C(=O)c1ccc2ccccc2c1)CC
InChIInChI=1S/C18H18O/c1-3-7-14(4-2)12-18(19)17-11-10-15-8-5-6-9-16(15)13-17/h3,5-13H,4H2,1-2H3/b7-3?,14-12-
InChIKeyLNKVYTJSLWAAHX-UNOAWWANSA-N
MW250.34 g/mol
LogP4.93
Rot. Bonds4

About (2Z)-3-ethyl-1-naphthalen-2-ylhexa-2,4-dien-1-one

(2Z)-3-ethyl-1-naphthalen-2-ylhexa-2,4-dien-1-one (PubChem CID 123874564) has the molecular formula C18H18O and a molecular weight of 250.34 g/mol. Its IUPAC name is (2Z)-3-ethyl-1-naphthalen-2-ylhexa-2,4-dien-1-one.

Molecular Properties

Compound Name(2Z)-3-ethyl-1-naphthalen-2-ylhexa-2,4-dien-1-one
PubChem CID123874564
Molecular FormulaC18H18O
Molecular Weight250.34 g/mol
Exact Mass250.14
IUPAC Name(2Z)-3-ethyl-1-naphthalen-2-ylhexa-2,4-dien-1-one
SMILESCC=C/C(=C\C(=O)c1ccc2ccccc2c1)CC
InChIInChI=1S/C18H18O/c1-3-7-14(4-2)12-18(19)17-11-10-15-8-5-6-9-16(15)13-17/h3,5-13H,4H2,1-2H3/b7-3?,14-12-
InChIKeyLNKVYTJSLWAAHX-UNOAWWANSA-N
XLogP4.93
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(E)-1-naphthalen-2-ylhex-2-en-1-one
CID 22625485
(E)-1-naphthalen-2-ylpent-2-ene-1,4-dione
CID 102019956
but-2-enoic acid;copper;naphthalene-2-carboxylic acid
CID 161418912
(E)-3-hydroxy-1-naphthalen-2-ylprop-2-en-1-one
CID 12782042
1-(4-methylphenyl)-4-naphthalen-2-ylbut-2-ene-1,4-dione
CID 139710300
N-[(Z)-4-naphthalen-2-yl-4-oxobut-2-en-2-yl]acetamide
CID 101486753
(E)-3-(4-ethylphenyl)-1-naphthalen-2-ylprop-2-en-1-one
CID 19561296
(E)-1-naphthalen-2-yl-3-[4-[(E)-3-naphthalen-2-yl-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one
CID 10939059
ethane;naphthalene-2-carboxylic acid;propane
CID 143443534
propanoyl naphthalene-2-carboxylate
CID 118192395
europium;4,4,4-trifluoro-3-hydroxy-1-naphthalen-2-ylbut-2-en-1-one
CID 158715426
(Z)-3-amino-3-naphthalen-2-yl-1-phenylprop-2-en-1-one
CID 170551701

Frequently Asked Questions

What is the IUPAC name of (2Z)-3-ethyl-1-naphthalen-2-ylhexa-2,4-dien-1-one?
The IUPAC name of (2Z)-3-ethyl-1-naphthalen-2-ylhexa-2,4-dien-1-one (CID 123874564) is (2Z)-3-ethyl-1-naphthalen-2-ylhexa-2,4-dien-1-one.
What is the SMILES notation for (2Z)-3-ethyl-1-naphthalen-2-ylhexa-2,4-dien-1-one?
The canonical SMILES for (2Z)-3-ethyl-1-naphthalen-2-ylhexa-2,4-dien-1-one is CC=C/C(=C\C(=O)c1ccc2ccccc2c1)CC.
What is the InChIKey of (2Z)-3-ethyl-1-naphthalen-2-ylhexa-2,4-dien-1-one?
The InChIKey is LNKVYTJSLWAAHX-UNOAWWANSA-N. The full InChI is InChI=1S/C18H18O/c1-3-7-14(4-2)12-18(19)17-11-10-15-8-5-6-9-16(15)13-17/h3,5-13H,4H2,1-2H3/b7-3?,14-12-.
What are the key properties of (2Z)-3-ethyl-1-naphthalen-2-ylhexa-2,4-dien-1-one?
(2Z)-3-ethyl-1-naphthalen-2-ylhexa-2,4-dien-1-one has a molecular weight of 250.34 g/mol, XLogP of 4.93, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3-ethyl-1-naphthalen-2-ylhexa-2,4-dien-1-one is sourced from PubChem (CID 123874564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).