5-[(5-chlorothiophen-2-yl)methoxy]-3,4-dihydro-2H-naphthalen-1-one

C15H13ClO2S — CID 65456156

IUPAC5-[(5-chlorothiophen-2-yl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CCCc2c(OCc3ccc(Cl)s3)cccc21
InChIInChI=1S/C15H13ClO2S/c16-15-8-7-10(19-15)9-18-14-6-2-3-11-12(14)4-1-5-13(11)17/h2-3,6-8H,1,4-5,9H2
InChIKeyDONRWODCEWCIND-UHFFFAOYSA-N
MW292.79 g/mol
LogP4.50
Rot. Bonds3

About 5-[(5-chlorothiophen-2-yl)methoxy]-3,4-dihydro-2H-naphthalen-1-one

5-[(5-chlorothiophen-2-yl)methoxy]-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 65456156) has the molecular formula C15H13ClO2S and a molecular weight of 292.79 g/mol. Its IUPAC name is 5-[(5-chlorothiophen-2-yl)methoxy]-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name5-[(5-chlorothiophen-2-yl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
PubChem CID65456156
Molecular FormulaC15H13ClO2S
Molecular Weight292.79 g/mol
Exact Mass292.03
IUPAC Name5-[(5-chlorothiophen-2-yl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CCCc2c(OCc3ccc(Cl)s3)cccc21
InChIInChI=1S/C15H13ClO2S/c16-15-8-7-10(19-15)9-18-14-6-2-3-11-12(14)4-1-5-13(11)17/h2-3,6-8H,1,4-5,9H2
InChIKeyDONRWODCEWCIND-UHFFFAOYSA-N
XLogP4.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-[(5-chlorothiophen-2-yl)methoxy]-3,4-dihydro-2H-naphthalen-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(5-chlorothiophen-2-yl)methoxy]-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 5-[(5-chlorothiophen-2-yl)methoxy]-3,4-dihydro-2H-naphthalen-1-one (CID 65456156) is 5-[(5-chlorothiophen-2-yl)methoxy]-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 5-[(5-chlorothiophen-2-yl)methoxy]-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 5-[(5-chlorothiophen-2-yl)methoxy]-3,4-dihydro-2H-naphthalen-1-one is O=C1CCCc2c(OCc3ccc(Cl)s3)cccc21.
What is the InChIKey of 5-[(5-chlorothiophen-2-yl)methoxy]-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is DONRWODCEWCIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO2S/c16-15-8-7-10(19-15)9-18-14-6-2-3-11-12(14)4-1-5-13(11)17/h2-3,6-8H,1,4-5,9H2.
What are the key properties of 5-[(5-chlorothiophen-2-yl)methoxy]-3,4-dihydro-2H-naphthalen-1-one?
5-[(5-chlorothiophen-2-yl)methoxy]-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 292.79 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-chlorothiophen-2-yl)methoxy]-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 65456156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).