(3-methoxythiophen-2-yl)-naphthalen-2-ylmethanone

C16H12O2S — CID 81118249

IUPAC(3-methoxythiophen-2-yl)-naphthalen-2-ylmethanone
SMILESCOc1ccsc1C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C16H12O2S/c1-18-14-8-9-19-16(14)15(17)13-7-6-11-4-2-3-5-12(11)10-13/h2-10H,1H3
InChIKeyIOPBTHRRVIYEEY-UHFFFAOYSA-N
MW268.34 g/mol
LogP4.14
Rot. Bonds3

About (3-methoxythiophen-2-yl)-naphthalen-2-ylmethanone

(3-methoxythiophen-2-yl)-naphthalen-2-ylmethanone (PubChem CID 81118249) has the molecular formula C16H12O2S and a molecular weight of 268.34 g/mol. Its IUPAC name is (3-methoxythiophen-2-yl)-naphthalen-2-ylmethanone.

Molecular Properties

Compound Name(3-methoxythiophen-2-yl)-naphthalen-2-ylmethanone
PubChem CID81118249
Molecular FormulaC16H12O2S
Molecular Weight268.34 g/mol
Exact Mass268.06
IUPAC Name(3-methoxythiophen-2-yl)-naphthalen-2-ylmethanone
SMILESCOc1ccsc1C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C16H12O2S/c1-18-14-8-9-19-16(14)15(17)13-7-6-11-4-2-3-5-12(11)10-13/h2-10H,1H3
InChIKeyIOPBTHRRVIYEEY-UHFFFAOYSA-N
XLogP4.14
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(6-methoxynaphthalen-2-yl)-(3-methoxythiophen-2-yl)methanone
CID 81121662
(3-chloro-4-methoxyphenyl)-(3-methoxythiophen-2-yl)methanone
CID 81127145
2,3-dihydro-1,4-benzodioxin-6-yl-(3-methoxythiophen-2-yl)methanone
CID 81127963
(4-amino-3-methylphenyl)-(3-methoxythiophen-2-yl)methanone
CID 81124722
(3,4-diethoxyphenyl)-(3-methoxythiophen-2-yl)methanone
CID 81121511
(4-bromophenyl)-(3-methoxythiophen-2-yl)methanone
CID 81127338
(3-chlorothiophen-2-yl)-(6-methoxynaphthalen-2-yl)methanone
CID 80645338
(4-fluoro-3-methoxyphenyl)-naphthalen-2-ylmethanone
CID 114970401
(3,6-dimethoxynaphthalen-2-yl)-naphthalen-2-ylmethanone
CID 123555772
6-(3-methoxythiophene-2-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 81126938
dinaphthalen-2-ylmethanone
CID 10945915
4-methoxybenzoyl chloride;(4-methoxyphenyl)-(3-methoxythiophen-2-yl)methanone;3-methoxythiophene
CID 159868660

Frequently Asked Questions

What is the IUPAC name of (3-methoxythiophen-2-yl)-naphthalen-2-ylmethanone?
The IUPAC name of (3-methoxythiophen-2-yl)-naphthalen-2-ylmethanone (CID 81118249) is (3-methoxythiophen-2-yl)-naphthalen-2-ylmethanone.
What is the SMILES notation for (3-methoxythiophen-2-yl)-naphthalen-2-ylmethanone?
The canonical SMILES for (3-methoxythiophen-2-yl)-naphthalen-2-ylmethanone is COc1ccsc1C(=O)c1ccc2ccccc2c1.
What is the InChIKey of (3-methoxythiophen-2-yl)-naphthalen-2-ylmethanone?
The InChIKey is IOPBTHRRVIYEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O2S/c1-18-14-8-9-19-16(14)15(17)13-7-6-11-4-2-3-5-12(11)10-13/h2-10H,1H3.
What are the key properties of (3-methoxythiophen-2-yl)-naphthalen-2-ylmethanone?
(3-methoxythiophen-2-yl)-naphthalen-2-ylmethanone has a molecular weight of 268.34 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxythiophen-2-yl)-naphthalen-2-ylmethanone is sourced from PubChem (CID 81118249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).