3-(2,3-dimethoxy-4-methylphenyl)-2,2,3-trimethylcyclopentan-1-one

C17H24O3 — CID 11964232

IUPAC3-(2,3-dimethoxy-4-methylphenyl)-2,2,3-trimethylcyclopentan-1-one
SMILESCOc1c(C)ccc(C2(C)CCC(=O)C2(C)C)c1OC
InChIInChI=1S/C17H24O3/c1-11-7-8-12(15(20-6)14(11)19-5)17(4)10-9-13(18)16(17,2)3/h7-8H,9-10H2,1-6H3
InChIKeyVHXQGZSWVCNXED-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.66
Rot. Bonds3

About 3-(2,3-dimethoxy-4-methylphenyl)-2,2,3-trimethylcyclopentan-1-one

3-(2,3-dimethoxy-4-methylphenyl)-2,2,3-trimethylcyclopentan-1-one (PubChem CID 11964232) has the molecular formula C17H24O3 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-(2,3-dimethoxy-4-methylphenyl)-2,2,3-trimethylcyclopentan-1-one.

Molecular Properties

Compound Name3-(2,3-dimethoxy-4-methylphenyl)-2,2,3-trimethylcyclopentan-1-one
PubChem CID11964232
Molecular FormulaC17H24O3
Molecular Weight276.38 g/mol
Exact Mass276.17
IUPAC Name3-(2,3-dimethoxy-4-methylphenyl)-2,2,3-trimethylcyclopentan-1-one
SMILESCOc1c(C)ccc(C2(C)CCC(=O)C2(C)C)c1OC
InChIInChI=1S/C17H24O3/c1-11-7-8-12(15(20-6)14(11)19-5)17(4)10-9-13(18)16(17,2)3/h7-8H,9-10H2,1-6H3
InChIKeyVHXQGZSWVCNXED-UHFFFAOYSA-N
XLogP3.66
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-isocyanatocyclopentyl)-2,3-dimethoxy-4-methylbenzene
CID 117407453
4,4'-dimethoxy-5,5'-dimethyl-3,3'-spirobi[1,2-dihydroindene];ethane
CID 145190891
1-(3-fluoro-2-methoxy-4-methylphenyl)cyclopropane-1-carboxylic acid
CID 117321558
(3aR,6aR)-3a,6a-dimethyl-2,3,5,6-tetrahydropentalene-1,4-dione
CID 2802599
2-(3-methoxy-2,4-dimethylphenyl)-2-methylpyrrolidine
CID 117313039
3-(2-methoxy-3,4-dimethylphenyl)-3-methylcyclopentan-1-ol
CID 103434384
1-(3-methoxy-4-methyl-2-propan-2-ylphenyl)cyclopropan-1-amine
CID 84786994
6-(1-aminocyclobutyl)-2-methoxy-3-methylphenol
CID 117296195
(6aR,11aS,11bR)-7-methoxy-4,6a,8,11b-tetramethyl-1,2,5,6,11,11a-hexahydrobenzo[a]fluoren-3-one
CID 139037303
[1-(2-methoxy-3,4-dimethylphenyl)cyclopropyl]methanamine
CID 117293943
ethane;5-hydroxy-6-methoxy-7,9b-dimethyl-3,3b,4,5,10,11-hexahydronaphtho[2,1-e][2]benzofuran-1-one
CID 145185895
1-(2-methoxy-3,4-dimethylphenyl)-3,3-dimethylcyclopentan-1-ol
CID 103432648

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethoxy-4-methylphenyl)-2,2,3-trimethylcyclopentan-1-one?
The IUPAC name of 3-(2,3-dimethoxy-4-methylphenyl)-2,2,3-trimethylcyclopentan-1-one (CID 11964232) is 3-(2,3-dimethoxy-4-methylphenyl)-2,2,3-trimethylcyclopentan-1-one.
What is the SMILES notation for 3-(2,3-dimethoxy-4-methylphenyl)-2,2,3-trimethylcyclopentan-1-one?
The canonical SMILES for 3-(2,3-dimethoxy-4-methylphenyl)-2,2,3-trimethylcyclopentan-1-one is COc1c(C)ccc(C2(C)CCC(=O)C2(C)C)c1OC.
What is the InChIKey of 3-(2,3-dimethoxy-4-methylphenyl)-2,2,3-trimethylcyclopentan-1-one?
The InChIKey is VHXQGZSWVCNXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O3/c1-11-7-8-12(15(20-6)14(11)19-5)17(4)10-9-13(18)16(17,2)3/h7-8H,9-10H2,1-6H3.
What are the key properties of 3-(2,3-dimethoxy-4-methylphenyl)-2,2,3-trimethylcyclopentan-1-one?
3-(2,3-dimethoxy-4-methylphenyl)-2,2,3-trimethylcyclopentan-1-one has a molecular weight of 276.38 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethoxy-4-methylphenyl)-2,2,3-trimethylcyclopentan-1-one is sourced from PubChem (CID 11964232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).