6-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]-3-ethyl-3,4-dihydro-2H-naphthalen-1-one

C19H20O3S — CID 123409168

IUPAC6-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]-3-ethyl-3,4-dihydro-2H-naphthalen-1-one
SMILESCCC1CC(=O)c2ccc(-c3ccc(C4OCCO4)s3)cc2C1
InChIInChI=1S/C19H20O3S/c1-2-12-9-14-11-13(3-4-15(14)16(20)10-12)17-5-6-18(23-17)19-21-7-8-22-19/h3-6,11-12,19H,2,7-10H2,1H3
InChIKeyDWWKGQYHSQVUEX-UHFFFAOYSA-N
MW328.43 g/mol
LogP4.62
Rot. Bonds3

About 6-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]-3-ethyl-3,4-dihydro-2H-naphthalen-1-one

6-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]-3-ethyl-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 123409168) has the molecular formula C19H20O3S and a molecular weight of 328.43 g/mol. Its IUPAC name is 6-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]-3-ethyl-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name6-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]-3-ethyl-3,4-dihydro-2H-naphthalen-1-one
PubChem CID123409168
Molecular FormulaC19H20O3S
Molecular Weight328.43 g/mol
Exact Mass328.11
IUPAC Name6-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]-3-ethyl-3,4-dihydro-2H-naphthalen-1-one
SMILESCCC1CC(=O)c2ccc(-c3ccc(C4OCCO4)s3)cc2C1
InChIInChI=1S/C19H20O3S/c1-2-12-9-14-11-13(3-4-15(14)16(20)10-12)17-5-6-18(23-17)19-21-7-8-22-19/h3-6,11-12,19H,2,7-10H2,1H3
InChIKeyDWWKGQYHSQVUEX-UHFFFAOYSA-N
XLogP4.62
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]-3-ethyl-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 6-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]-3-ethyl-3,4-dihydro-2H-naphthalen-1-one (CID 123409168) is 6-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]-3-ethyl-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 6-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]-3-ethyl-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 6-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]-3-ethyl-3,4-dihydro-2H-naphthalen-1-one is CCC1CC(=O)c2ccc(-c3ccc(C4OCCO4)s3)cc2C1.
What is the InChIKey of 6-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]-3-ethyl-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is DWWKGQYHSQVUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O3S/c1-2-12-9-14-11-13(3-4-15(14)16(20)10-12)17-5-6-18(23-17)19-21-7-8-22-19/h3-6,11-12,19H,2,7-10H2,1H3.
What are the key properties of 6-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]-3-ethyl-3,4-dihydro-2H-naphthalen-1-one?
6-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]-3-ethyl-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 328.43 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]-3-ethyl-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 123409168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).