1,2-dihydroacenaphthylen-5-yl-(5-methylthiophen-2-yl)methanone

C18H14OS — CID 114938943

IUPAC1,2-dihydroacenaphthylen-5-yl-(5-methylthiophen-2-yl)methanone
SMILESCc1ccc(C(=O)c2ccc3c4c(cccc24)CC3)s1
InChIInChI=1S/C18H14OS/c1-11-5-10-16(20-11)18(19)15-9-8-13-7-6-12-3-2-4-14(15)17(12)13/h2-5,8-10H,6-7H2,1H3
InChIKeyLQUAJLTUGDCRLV-UHFFFAOYSA-N
MW278.38 g/mol
LogP4.54
Rot. Bonds2

About 1,2-dihydroacenaphthylen-5-yl-(5-methylthiophen-2-yl)methanone

1,2-dihydroacenaphthylen-5-yl-(5-methylthiophen-2-yl)methanone (PubChem CID 114938943) has the molecular formula C18H14OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 1,2-dihydroacenaphthylen-5-yl-(5-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name1,2-dihydroacenaphthylen-5-yl-(5-methylthiophen-2-yl)methanone
PubChem CID114938943
Molecular FormulaC18H14OS
Molecular Weight278.38 g/mol
Exact Mass278.08
IUPAC Name1,2-dihydroacenaphthylen-5-yl-(5-methylthiophen-2-yl)methanone
SMILESCc1ccc(C(=O)c2ccc3c4c(cccc24)CC3)s1
InChIInChI=1S/C18H14OS/c1-11-5-10-16(20-11)18(19)15-9-8-13-7-6-12-3-2-4-14(15)17(12)13/h2-5,8-10H,6-7H2,1H3
InChIKeyLQUAJLTUGDCRLV-UHFFFAOYSA-N
XLogP4.54
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-dihydroacenaphthylen-5-yl-(5-methylthiophen-2-yl)methanone?
The IUPAC name of 1,2-dihydroacenaphthylen-5-yl-(5-methylthiophen-2-yl)methanone (CID 114938943) is 1,2-dihydroacenaphthylen-5-yl-(5-methylthiophen-2-yl)methanone.
What is the SMILES notation for 1,2-dihydroacenaphthylen-5-yl-(5-methylthiophen-2-yl)methanone?
The canonical SMILES for 1,2-dihydroacenaphthylen-5-yl-(5-methylthiophen-2-yl)methanone is Cc1ccc(C(=O)c2ccc3c4c(cccc24)CC3)s1.
What is the InChIKey of 1,2-dihydroacenaphthylen-5-yl-(5-methylthiophen-2-yl)methanone?
The InChIKey is LQUAJLTUGDCRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14OS/c1-11-5-10-16(20-11)18(19)15-9-8-13-7-6-12-3-2-4-14(15)17(12)13/h2-5,8-10H,6-7H2,1H3.
What are the key properties of 1,2-dihydroacenaphthylen-5-yl-(5-methylthiophen-2-yl)methanone?
1,2-dihydroacenaphthylen-5-yl-(5-methylthiophen-2-yl)methanone has a molecular weight of 278.38 g/mol, XLogP of 4.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydroacenaphthylen-5-yl-(5-methylthiophen-2-yl)methanone is sourced from PubChem (CID 114938943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).