(Z)-1-(6-methoxynaphthalen-2-yl)-3-thiophen-2-ylprop-2-en-1-one

C18H14O2S — CID 92909536

IUPAC(Z)-1-(6-methoxynaphthalen-2-yl)-3-thiophen-2-ylprop-2-en-1-one
SMILESCOc1ccc2cc(C(=O)/C=C\c3cccs3)ccc2c1
InChIInChI=1S/C18H14O2S/c1-20-16-7-6-13-11-15(5-4-14(13)12-16)18(19)9-8-17-3-2-10-21-17/h2-12H,1H3/b9-8-
InChIKeyLHQGBQQCMOVGJH-HJWRWDBZSA-N
MW294.38 g/mol
LogP4.81
Rot. Bonds4

About (Z)-1-(6-methoxynaphthalen-2-yl)-3-thiophen-2-ylprop-2-en-1-one

(Z)-1-(6-methoxynaphthalen-2-yl)-3-thiophen-2-ylprop-2-en-1-one (PubChem CID 92909536) has the molecular formula C18H14O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is (Z)-1-(6-methoxynaphthalen-2-yl)-3-thiophen-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name(Z)-1-(6-methoxynaphthalen-2-yl)-3-thiophen-2-ylprop-2-en-1-one
PubChem CID92909536
Molecular FormulaC18H14O2S
Molecular Weight294.38 g/mol
Exact Mass294.07
IUPAC Name(Z)-1-(6-methoxynaphthalen-2-yl)-3-thiophen-2-ylprop-2-en-1-one
SMILESCOc1ccc2cc(C(=O)/C=C\c3cccs3)ccc2c1
InChIInChI=1S/C18H14O2S/c1-20-16-7-6-13-11-15(5-4-14(13)12-16)18(19)9-8-17-3-2-10-21-17/h2-12H,1H3/b9-8-
InChIKeyLHQGBQQCMOVGJH-HJWRWDBZSA-N
XLogP4.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2,4-dimethoxyphenyl)-3-thiophen-2-ylprop-2-en-1-one
CID 2778338
(4-methoxyphenyl) (E)-3-thiophen-2-ylprop-2-enoate
CID 137442894
(E)-3-thiophen-2-yl-1-[4-[4-[4-[(E)-3-thiophen-2-ylprop-2-enoyl]phenoxy]butoxy]phenyl]prop-2-en-1-one
CID 139219860
(E)-3-thiophen-2-yl-1-[4-[3-[4-[(E)-3-thiophen-2-ylprop-2-enoyl]phenoxy]propoxy]phenyl]prop-2-en-1-one
CID 139219859
(Z)-1-(4-chlorophenyl)-3-thiophen-2-ylprop-2-en-1-one
CID 92857757
(E)-1-(3,5-dihydroxyphenyl)-3-thiophen-2-ylprop-2-en-1-one
CID 74983119
1-(4-aminophenyl)-3-thiophen-2-ylprop-2-en-1-one
CID 53405742
(E)-1-[3-(difluoromethoxy)phenyl]-3-thiophen-2-ylprop-2-en-1-one
CID 6211488
naphthalen-2-yl (E)-3-thiophen-2-ylprop-2-enoate
CID 8886119
[4-(3-thiophen-2-ylprop-2-enoyl)phenyl] 4-bromobenzoate
CID 3547433
(E)-1-[4-(2-chloroprop-2-enoxy)phenyl]-3-thiophen-2-ylprop-2-en-1-one
CID 52694949
[4-[(E)-3-thiophen-2-ylprop-2-enoyl]phenyl] morpholine-4-carboxylate
CID 6266771

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(6-methoxynaphthalen-2-yl)-3-thiophen-2-ylprop-2-en-1-one?
The IUPAC name of (Z)-1-(6-methoxynaphthalen-2-yl)-3-thiophen-2-ylprop-2-en-1-one (CID 92909536) is (Z)-1-(6-methoxynaphthalen-2-yl)-3-thiophen-2-ylprop-2-en-1-one.
What is the SMILES notation for (Z)-1-(6-methoxynaphthalen-2-yl)-3-thiophen-2-ylprop-2-en-1-one?
The canonical SMILES for (Z)-1-(6-methoxynaphthalen-2-yl)-3-thiophen-2-ylprop-2-en-1-one is COc1ccc2cc(C(=O)/C=C\c3cccs3)ccc2c1.
What is the InChIKey of (Z)-1-(6-methoxynaphthalen-2-yl)-3-thiophen-2-ylprop-2-en-1-one?
The InChIKey is LHQGBQQCMOVGJH-HJWRWDBZSA-N. The full InChI is InChI=1S/C18H14O2S/c1-20-16-7-6-13-11-15(5-4-14(13)12-16)18(19)9-8-17-3-2-10-21-17/h2-12H,1H3/b9-8-.
What are the key properties of (Z)-1-(6-methoxynaphthalen-2-yl)-3-thiophen-2-ylprop-2-en-1-one?
(Z)-1-(6-methoxynaphthalen-2-yl)-3-thiophen-2-ylprop-2-en-1-one has a molecular weight of 294.38 g/mol, XLogP of 4.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(6-methoxynaphthalen-2-yl)-3-thiophen-2-ylprop-2-en-1-one is sourced from PubChem (CID 92909536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).