(3-ethylthiophen-2-yl)-(3-methoxyphenyl)methanone

C14H14O2S — CID 114962447

IUPAC(3-ethylthiophen-2-yl)-(3-methoxyphenyl)methanone
SMILESCCc1ccsc1C(=O)c1cccc(OC)c1
InChIInChI=1S/C14H14O2S/c1-3-10-7-8-17-14(10)13(15)11-5-4-6-12(9-11)16-2/h4-9H,3H2,1-2H3
InChIKeyXABNSOQGRKMCMY-UHFFFAOYSA-N
MW246.33 g/mol
LogP3.55
Rot. Bonds4

About (3-ethylthiophen-2-yl)-(3-methoxyphenyl)methanone

(3-ethylthiophen-2-yl)-(3-methoxyphenyl)methanone (PubChem CID 114962447) has the molecular formula C14H14O2S and a molecular weight of 246.33 g/mol. Its IUPAC name is (3-ethylthiophen-2-yl)-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Name(3-ethylthiophen-2-yl)-(3-methoxyphenyl)methanone
PubChem CID114962447
Molecular FormulaC14H14O2S
Molecular Weight246.33 g/mol
Exact Mass246.07
IUPAC Name(3-ethylthiophen-2-yl)-(3-methoxyphenyl)methanone
SMILESCCc1ccsc1C(=O)c1cccc(OC)c1
InChIInChI=1S/C14H14O2S/c1-3-10-7-8-17-14(10)13(15)11-5-4-6-12(9-11)16-2/h4-9H,3H2,1-2H3
InChIKeyXABNSOQGRKMCMY-UHFFFAOYSA-N
XLogP3.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxyphenyl)propan-1-one;propane
CID 142960525
sodium;(3-methoxyphenyl)-phenylmethanone;hydroxide
CID 18779399
(3-methoxyphenyl)-(2,3,4,5,6-pentamethylphenyl)methanone
CID 43159799
N-ethyl-3-methoxy-N-methylbenzamide
CID 15816607
(3-chlorothiophen-2-yl)-(3-propan-2-yloxyphenyl)methanone
CID 80529913
3-methoxy-N,N-dipropylbenzamide
CID 669439
(3-ethylthiophen-2-yl)-(5-methyl-3-pyridinyl)methanone
CID 115791581
1-(3-methoxyphenyl)-2-(1,3-thiazol-3-ium-2-yl)ethanone
CID 151263787
2-hydroxy-1-(3-methoxyphenyl)ethanone
CID 23505111
N,N-dihydroxy-3-methoxybenzamide
CID 91426750
(4-bromophenyl)-(3-methoxyphenyl)methanone
CID 2757032
1-(3-ethylthiophen-2-yl)-2-(3-methoxyphenyl)ethanamine
CID 79975339

Frequently Asked Questions

What is the IUPAC name of (3-ethylthiophen-2-yl)-(3-methoxyphenyl)methanone?
The IUPAC name of (3-ethylthiophen-2-yl)-(3-methoxyphenyl)methanone (CID 114962447) is (3-ethylthiophen-2-yl)-(3-methoxyphenyl)methanone.
What is the SMILES notation for (3-ethylthiophen-2-yl)-(3-methoxyphenyl)methanone?
The canonical SMILES for (3-ethylthiophen-2-yl)-(3-methoxyphenyl)methanone is CCc1ccsc1C(=O)c1cccc(OC)c1.
What is the InChIKey of (3-ethylthiophen-2-yl)-(3-methoxyphenyl)methanone?
The InChIKey is XABNSOQGRKMCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2S/c1-3-10-7-8-17-14(10)13(15)11-5-4-6-12(9-11)16-2/h4-9H,3H2,1-2H3.
What are the key properties of (3-ethylthiophen-2-yl)-(3-methoxyphenyl)methanone?
(3-ethylthiophen-2-yl)-(3-methoxyphenyl)methanone has a molecular weight of 246.33 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylthiophen-2-yl)-(3-methoxyphenyl)methanone is sourced from PubChem (CID 114962447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).