6-[2-(5-methylthiophen-2-yl)-2-oxoethoxy]-3,4-dihydro-2H-naphthalen-1-one

C17H16O3S — CID 62034019

IUPAC6-[2-(5-methylthiophen-2-yl)-2-oxoethoxy]-3,4-dihydro-2H-naphthalen-1-one
SMILESCc1ccc(C(=O)COc2ccc3c(c2)CCCC3=O)s1
InChIInChI=1S/C17H16O3S/c1-11-5-8-17(21-11)16(19)10-20-13-6-7-14-12(9-13)3-2-4-15(14)18/h5-9H,2-4,10H2,1H3
InChIKeyKHBACXCRUHPALM-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.84
Rot. Bonds4

About 6-[2-(5-methylthiophen-2-yl)-2-oxoethoxy]-3,4-dihydro-2H-naphthalen-1-one

6-[2-(5-methylthiophen-2-yl)-2-oxoethoxy]-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 62034019) has the molecular formula C17H16O3S and a molecular weight of 300.38 g/mol. Its IUPAC name is 6-[2-(5-methylthiophen-2-yl)-2-oxoethoxy]-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name6-[2-(5-methylthiophen-2-yl)-2-oxoethoxy]-3,4-dihydro-2H-naphthalen-1-one
PubChem CID62034019
Molecular FormulaC17H16O3S
Molecular Weight300.38 g/mol
Exact Mass300.08
IUPAC Name6-[2-(5-methylthiophen-2-yl)-2-oxoethoxy]-3,4-dihydro-2H-naphthalen-1-one
SMILESCc1ccc(C(=O)COc2ccc3c(c2)CCCC3=O)s1
InChIInChI=1S/C17H16O3S/c1-11-5-8-17(21-11)16(19)10-20-13-6-7-14-12(9-13)3-2-4-15(14)18/h5-9H,2-4,10H2,1H3
InChIKeyKHBACXCRUHPALM-UHFFFAOYSA-N
XLogP3.84
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[2-(5-bromothiophen-2-yl)-2-oxoethoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 62033839
6-[2-(5-methylthiophen-2-yl)-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one
CID 43799666
6-[2-(3-bromothiophen-2-yl)-2-oxoethoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 62033653
6-(3-methoxy-2-oxopropoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 107508131
2-(4-methylphenoxy)-1-(5-methylthiophen-2-yl)ethanone
CID 43612207
2-(3-methylphenoxy)-1-(5-methylthiophen-2-yl)ethanone
CID 43612220
6-(4-oxopentoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 62033294
2-(4-iodophenoxy)-1-(5-methylthiophen-2-yl)ethanone
CID 60659687
6-(ethoxymethoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 65369803
6-(2-methoxyethoxymethoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 54129748
6-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 14112
2-methyl-4-[(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)oxy]but-2-enoic acid
CID 77074781

Frequently Asked Questions

What is the IUPAC name of 6-[2-(5-methylthiophen-2-yl)-2-oxoethoxy]-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 6-[2-(5-methylthiophen-2-yl)-2-oxoethoxy]-3,4-dihydro-2H-naphthalen-1-one (CID 62034019) is 6-[2-(5-methylthiophen-2-yl)-2-oxoethoxy]-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 6-[2-(5-methylthiophen-2-yl)-2-oxoethoxy]-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 6-[2-(5-methylthiophen-2-yl)-2-oxoethoxy]-3,4-dihydro-2H-naphthalen-1-one is Cc1ccc(C(=O)COc2ccc3c(c2)CCCC3=O)s1.
What is the InChIKey of 6-[2-(5-methylthiophen-2-yl)-2-oxoethoxy]-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is KHBACXCRUHPALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O3S/c1-11-5-8-17(21-11)16(19)10-20-13-6-7-14-12(9-13)3-2-4-15(14)18/h5-9H,2-4,10H2,1H3.
What are the key properties of 6-[2-(5-methylthiophen-2-yl)-2-oxoethoxy]-3,4-dihydro-2H-naphthalen-1-one?
6-[2-(5-methylthiophen-2-yl)-2-oxoethoxy]-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 300.38 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(5-methylthiophen-2-yl)-2-oxoethoxy]-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 62034019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).