(Z)-4-(6-methoxynaphthalen-2-yl)-3-methylbut-3-en-2-one

C16H16O2 — CID 103090788

IUPAC(Z)-4-(6-methoxynaphthalen-2-yl)-3-methylbut-3-en-2-one
SMILESCOc1ccc2cc(/C=C(/C)C(C)=O)ccc2c1
InChIInChI=1S/C16H16O2/c1-11(12(2)17)8-13-4-5-15-10-16(18-3)7-6-14(15)9-13/h4-10H,1-3H3/b11-8-
InChIKeyOYYOXMBAYXOKLK-FLIBITNWSA-N
MW240.30 g/mol
LogP3.84
Rot. Bonds3

About (Z)-4-(6-methoxynaphthalen-2-yl)-3-methylbut-3-en-2-one

(Z)-4-(6-methoxynaphthalen-2-yl)-3-methylbut-3-en-2-one (PubChem CID 103090788) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is (Z)-4-(6-methoxynaphthalen-2-yl)-3-methylbut-3-en-2-one.

Molecular Properties

Compound Name(Z)-4-(6-methoxynaphthalen-2-yl)-3-methylbut-3-en-2-one
PubChem CID103090788
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name(Z)-4-(6-methoxynaphthalen-2-yl)-3-methylbut-3-en-2-one
SMILESCOc1ccc2cc(/C=C(/C)C(C)=O)ccc2c1
InChIInChI=1S/C16H16O2/c1-11(12(2)17)8-13-4-5-15-10-16(18-3)7-6-14(15)9-13/h4-10H,1-3H3/b11-8-
InChIKeyOYYOXMBAYXOKLK-FLIBITNWSA-N
XLogP3.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(6-methoxynaphthalen-2-yl)-2-methylprop-2-enal
CID 79331403
(E)-3-(6-methoxynaphthalen-2-yl)-N,N-dimethylprop-2-enamide
CID 39001200
4-(5-methoxy-2-methylphenyl)-3-methylbut-3-en-2-one
CID 91563574
(E)-4-(4-methoxyphenyl)-3-methyl-2-oxobut-3-enoic acid
CID 57435525
(E)-3-(6-methoxynaphthalen-2-yl)-1-(4-methylphenyl)prop-2-en-1-one
CID 7946120
(E)-1-(3-bromothiophen-2-yl)-3-(6-methoxynaphthalen-2-yl)prop-2-en-1-one
CID 139071517
methyl (Z,2E)-2-(methoxymethylidene)-4-(6-methoxynaphthalen-2-yl)but-3-enoate
CID 101175930
(E)-N-(3,5-dimethoxyphenyl)-3-(6-methoxynaphthalen-2-yl)prop-2-enamide
CID 9192243
butyl (E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoate
CID 10221471
3-(6-methoxynaphthalen-2-yl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 4815904
(E)-3-(6-methoxynaphthalen-2-yl)prop-2-enenitrile
CID 55206724
(E)-3-(3-methoxyphenyl)-2-methylprop-2-enamide
CID 5375231

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(6-methoxynaphthalen-2-yl)-3-methylbut-3-en-2-one?
The IUPAC name of (Z)-4-(6-methoxynaphthalen-2-yl)-3-methylbut-3-en-2-one (CID 103090788) is (Z)-4-(6-methoxynaphthalen-2-yl)-3-methylbut-3-en-2-one.
What is the SMILES notation for (Z)-4-(6-methoxynaphthalen-2-yl)-3-methylbut-3-en-2-one?
The canonical SMILES for (Z)-4-(6-methoxynaphthalen-2-yl)-3-methylbut-3-en-2-one is COc1ccc2cc(/C=C(/C)C(C)=O)ccc2c1.
What is the InChIKey of (Z)-4-(6-methoxynaphthalen-2-yl)-3-methylbut-3-en-2-one?
The InChIKey is OYYOXMBAYXOKLK-FLIBITNWSA-N. The full InChI is InChI=1S/C16H16O2/c1-11(12(2)17)8-13-4-5-15-10-16(18-3)7-6-14(15)9-13/h4-10H,1-3H3/b11-8-.
What are the key properties of (Z)-4-(6-methoxynaphthalen-2-yl)-3-methylbut-3-en-2-one?
(Z)-4-(6-methoxynaphthalen-2-yl)-3-methylbut-3-en-2-one has a molecular weight of 240.30 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(6-methoxynaphthalen-2-yl)-3-methylbut-3-en-2-one is sourced from PubChem (CID 103090788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).