(3,4-diethoxyphenyl)-(3-methoxythiophen-2-yl)methanone

C16H18O4S — CID 81121511

IUPAC(3,4-diethoxyphenyl)-(3-methoxythiophen-2-yl)methanone
SMILESCCOc1ccc(C(=O)c2sccc2OC)cc1OCC
InChIInChI=1S/C16H18O4S/c1-4-19-12-7-6-11(10-14(12)20-5-2)15(17)16-13(18-3)8-9-21-16/h6-10H,4-5H2,1-3H3
InChIKeyVVWKUSQFSLOLOB-UHFFFAOYSA-N
MW306.38 g/mol
LogP3.79
Rot. Bonds7

About (3,4-diethoxyphenyl)-(3-methoxythiophen-2-yl)methanone

(3,4-diethoxyphenyl)-(3-methoxythiophen-2-yl)methanone (PubChem CID 81121511) has the molecular formula C16H18O4S and a molecular weight of 306.38 g/mol. Its IUPAC name is (3,4-diethoxyphenyl)-(3-methoxythiophen-2-yl)methanone.

Molecular Properties

Compound Name(3,4-diethoxyphenyl)-(3-methoxythiophen-2-yl)methanone
PubChem CID81121511
Molecular FormulaC16H18O4S
Molecular Weight306.38 g/mol
Exact Mass306.09
IUPAC Name(3,4-diethoxyphenyl)-(3-methoxythiophen-2-yl)methanone
SMILESCCOc1ccc(C(=O)c2sccc2OC)cc1OCC
InChIInChI=1S/C16H18O4S/c1-4-19-12-7-6-11(10-14(12)20-5-2)15(17)16-13(18-3)8-9-21-16/h6-10H,4-5H2,1-3H3
InChIKeyVVWKUSQFSLOLOB-UHFFFAOYSA-N
XLogP3.79
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-chloro-4-methoxyphenyl)-(3-methoxythiophen-2-yl)methanone
CID 81127145
bis(3,4-diethoxyphenyl)methanone
CID 135325793
(5-ethoxy-3-pyridinyl)-(3-methoxythiophen-2-yl)methanone
CID 115793680
(3-methoxythiophen-2-yl)-naphthalen-2-ylmethanone
CID 81118249
1,2-bis(3-ethoxy-4-methoxyphenyl)ethane-1,2-dione
CID 126457801
(4-amino-3-methylphenyl)-(3-methoxythiophen-2-yl)methanone
CID 81124722
(3-bromo-4-ethoxyphenyl)-(3-ethylthiophen-2-yl)methanone
CID 104656774
2,3-dihydro-1,4-benzodioxin-6-yl-(3-methoxythiophen-2-yl)methanone
CID 81127963
(3-ethoxy-4-methoxyphenyl)-(3-hydroxy-4-methoxyphenyl)methanone
CID 69205784
3-[(3,4-diethoxybenzoyl)amino]thiophene-2-carboxylic acid
CID 16776584
(4-chloro-3-methoxyphenyl)-(3-chlorothiophen-2-yl)methanone
CID 115781749
3-ethoxy-4-methoxybenzoate
CID 7020473

Frequently Asked Questions

What is the IUPAC name of (3,4-diethoxyphenyl)-(3-methoxythiophen-2-yl)methanone?
The IUPAC name of (3,4-diethoxyphenyl)-(3-methoxythiophen-2-yl)methanone (CID 81121511) is (3,4-diethoxyphenyl)-(3-methoxythiophen-2-yl)methanone.
What is the SMILES notation for (3,4-diethoxyphenyl)-(3-methoxythiophen-2-yl)methanone?
The canonical SMILES for (3,4-diethoxyphenyl)-(3-methoxythiophen-2-yl)methanone is CCOc1ccc(C(=O)c2sccc2OC)cc1OCC.
What is the InChIKey of (3,4-diethoxyphenyl)-(3-methoxythiophen-2-yl)methanone?
The InChIKey is VVWKUSQFSLOLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O4S/c1-4-19-12-7-6-11(10-14(12)20-5-2)15(17)16-13(18-3)8-9-21-16/h6-10H,4-5H2,1-3H3.
What are the key properties of (3,4-diethoxyphenyl)-(3-methoxythiophen-2-yl)methanone?
(3,4-diethoxyphenyl)-(3-methoxythiophen-2-yl)methanone has a molecular weight of 306.38 g/mol, XLogP of 3.79, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-diethoxyphenyl)-(3-methoxythiophen-2-yl)methanone is sourced from PubChem (CID 81121511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).