(2Z)-6-methoxy-2-(thiophen-2-ylmethylidene)-3,4-dihydronaphthalen-1-one

C16H14O2S — CID 6263238

IUPAC(2Z)-6-methoxy-2-(thiophen-2-ylmethylidene)-3,4-dihydronaphthalen-1-one
SMILESCOc1ccc2c(c1)CC/C(=C/c1cccs1)C2=O
InChIInChI=1S/C16H14O2S/c1-18-13-6-7-15-11(9-13)4-5-12(16(15)17)10-14-3-2-8-19-14/h2-3,6-10H,4-5H2,1H3/b12-10-
InChIKeySUDXHEBZHUWWCA-BENRWUELSA-N
MW270.35 g/mol
LogP3.97
Rot. Bonds2

About (2Z)-6-methoxy-2-(thiophen-2-ylmethylidene)-3,4-dihydronaphthalen-1-one

(2Z)-6-methoxy-2-(thiophen-2-ylmethylidene)-3,4-dihydronaphthalen-1-one (PubChem CID 6263238) has the molecular formula C16H14O2S and a molecular weight of 270.35 g/mol. Its IUPAC name is (2Z)-6-methoxy-2-(thiophen-2-ylmethylidene)-3,4-dihydronaphthalen-1-one.

Molecular Properties

Compound Name(2Z)-6-methoxy-2-(thiophen-2-ylmethylidene)-3,4-dihydronaphthalen-1-one
PubChem CID6263238
Molecular FormulaC16H14O2S
Molecular Weight270.35 g/mol
Exact Mass270.07
IUPAC Name(2Z)-6-methoxy-2-(thiophen-2-ylmethylidene)-3,4-dihydronaphthalen-1-one
SMILESCOc1ccc2c(c1)CC/C(=C/c1cccs1)C2=O
InChIInChI=1S/C16H14O2S/c1-18-13-6-7-15-11(9-13)4-5-12(16(15)17)10-14-3-2-8-19-14/h2-3,6-10H,4-5H2,1H3/b12-10-
InChIKeySUDXHEBZHUWWCA-BENRWUELSA-N
XLogP3.97
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 53.97
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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Frequently Asked Questions

What is the IUPAC name of (2Z)-6-methoxy-2-(thiophen-2-ylmethylidene)-3,4-dihydronaphthalen-1-one?
The IUPAC name of (2Z)-6-methoxy-2-(thiophen-2-ylmethylidene)-3,4-dihydronaphthalen-1-one (CID 6263238) is (2Z)-6-methoxy-2-(thiophen-2-ylmethylidene)-3,4-dihydronaphthalen-1-one.
What is the SMILES notation for (2Z)-6-methoxy-2-(thiophen-2-ylmethylidene)-3,4-dihydronaphthalen-1-one?
The canonical SMILES for (2Z)-6-methoxy-2-(thiophen-2-ylmethylidene)-3,4-dihydronaphthalen-1-one is COc1ccc2c(c1)CC/C(=C/c1cccs1)C2=O.
What is the InChIKey of (2Z)-6-methoxy-2-(thiophen-2-ylmethylidene)-3,4-dihydronaphthalen-1-one?
The InChIKey is SUDXHEBZHUWWCA-BENRWUELSA-N. The full InChI is InChI=1S/C16H14O2S/c1-18-13-6-7-15-11(9-13)4-5-12(16(15)17)10-14-3-2-8-19-14/h2-3,6-10H,4-5H2,1H3/b12-10-.
What are the key properties of (2Z)-6-methoxy-2-(thiophen-2-ylmethylidene)-3,4-dihydronaphthalen-1-one?
(2Z)-6-methoxy-2-(thiophen-2-ylmethylidene)-3,4-dihydronaphthalen-1-one has a molecular weight of 270.35 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-6-methoxy-2-(thiophen-2-ylmethylidene)-3,4-dihydronaphthalen-1-one is sourced from PubChem (CID 6263238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).