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

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Related Compounds

6-Chloro-2-thiophen-2-yl-chromen-4-one
CID 254791
Sodium 5-[(5-chloro-2-phenylmethoxyphenyl)methyl]thiophene-3-carboxylate
CID 44455131
Sodium 5-[(5-chloro-2-phenylmethoxyphenyl)methyl]thiophene-2-carboxylate
CID 44455167
[3-(3-Chlorophenyl)thiophen-2-yl]-(2-methoxyphenyl)methanone
CID 145991246
6-Chloro-2-(thiophen-2-YL)chroman-4-one
CID 76326373
6-Thiophen-2-yloxynaphthalene-1,4-dione
CID 164611778
5-Thiophen-2-yloxynaphthalene-1,4-dione
CID 164616530
2-(4-Chlorophenyl)sulfanyl-5-methoxy-naphthalene-1,4-dione
CID 6481299
2-(4-Chlorophenyl)sulfanyl-8-methoxy-naphthalene-1,4-dione
CID 6481306
(E)-1-(5-chlorothiophen-2-yl)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-en-1-one
CID 19555262
Naphthalen-1-yl 3-chloro-1-benzothiophene-2-carboxylate
CID 832644
(E)-1-(5-chlorothiophen-2-yl)-3-(2,5-dimethoxyphenyl)prop-2-en-1-one
CID 19555292

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).