(4,5-dimethoxy-2-methylphenyl)-thiophen-3-ylmethanone

C14H14O3S — CID 43626586

IUPAC(4,5-dimethoxy-2-methylphenyl)-thiophen-3-ylmethanone
SMILESCOc1cc(C)c(C(=O)c2ccsc2)cc1OC
InChIInChI=1S/C14H14O3S/c1-9-6-12(16-2)13(17-3)7-11(9)14(15)10-4-5-18-8-10/h4-8H,1-3H3
InChIKeyHMOOKLIYMVPCHP-UHFFFAOYSA-N
MW262.33 g/mol
LogP3.30
Rot. Bonds4

About (4,5-dimethoxy-2-methylphenyl)-thiophen-3-ylmethanone

(4,5-dimethoxy-2-methylphenyl)-thiophen-3-ylmethanone (PubChem CID 43626586) has the molecular formula C14H14O3S and a molecular weight of 262.33 g/mol. Its IUPAC name is (4,5-dimethoxy-2-methylphenyl)-thiophen-3-ylmethanone.

Molecular Properties

Compound Name(4,5-dimethoxy-2-methylphenyl)-thiophen-3-ylmethanone
PubChem CID43626586
Molecular FormulaC14H14O3S
Molecular Weight262.33 g/mol
Exact Mass262.07
IUPAC Name(4,5-dimethoxy-2-methylphenyl)-thiophen-3-ylmethanone
SMILESCOc1cc(C)c(C(=O)c2ccsc2)cc1OC
InChIInChI=1S/C14H14O3S/c1-9-6-12(16-2)13(17-3)7-11(9)14(15)10-4-5-18-8-10/h4-8H,1-3H3
InChIKeyHMOOKLIYMVPCHP-UHFFFAOYSA-N
XLogP3.30
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methoxy-3-methylphenyl)-thiophen-3-ylmethanone
CID 43463880
(4-bromo-2-methoxyphenyl)-thiophen-3-ylmethanone
CID 114975240
thiophen-3-yl-(2,3,4-trimethoxyphenyl)methanone
CID 43588954
(4,5-dimethoxy-2-methylphenyl)-(4-fluoro-3-methylphenyl)methanone
CID 63209380
(2-chloro-4-methoxyphenyl)-thiophen-3-ylmethanone
CID 43561635
4,5-dimethoxy-2-(thiophene-3-carbonylamino)benzoic acid
CID 16771039
(4-bromo-3-methylphenyl)-thiophen-3-ylmethanone
CID 54181857
(2-fluoro-3-methylphenyl)-thiophen-3-ylmethanone
CID 114975244
(3-chloro-4-methylthiophen-2-yl)-(4,5-dimethoxy-2-methylphenyl)methanone
CID 103400398
(4-fluoro-2,6-dimethylphenyl)-thiophen-3-ylmethanone
CID 106876967
(4,5-dimethoxy-2-methylphenyl)-(2-iodophenyl)methanone
CID 43626525
(4-methoxythiophen-2-yl)-thiophen-3-ylmethanone
CID 114975247

Frequently Asked Questions

What is the IUPAC name of (4,5-dimethoxy-2-methylphenyl)-thiophen-3-ylmethanone?
The IUPAC name of (4,5-dimethoxy-2-methylphenyl)-thiophen-3-ylmethanone (CID 43626586) is (4,5-dimethoxy-2-methylphenyl)-thiophen-3-ylmethanone.
What is the SMILES notation for (4,5-dimethoxy-2-methylphenyl)-thiophen-3-ylmethanone?
The canonical SMILES for (4,5-dimethoxy-2-methylphenyl)-thiophen-3-ylmethanone is COc1cc(C)c(C(=O)c2ccsc2)cc1OC.
What is the InChIKey of (4,5-dimethoxy-2-methylphenyl)-thiophen-3-ylmethanone?
The InChIKey is HMOOKLIYMVPCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3S/c1-9-6-12(16-2)13(17-3)7-11(9)14(15)10-4-5-18-8-10/h4-8H,1-3H3.
What are the key properties of (4,5-dimethoxy-2-methylphenyl)-thiophen-3-ylmethanone?
(4,5-dimethoxy-2-methylphenyl)-thiophen-3-ylmethanone has a molecular weight of 262.33 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dimethoxy-2-methylphenyl)-thiophen-3-ylmethanone is sourced from PubChem (CID 43626586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).