(2,4-dimethoxyphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone

C17H24O4 — CID 115814029

IUPAC(2,4-dimethoxyphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone
SMILESCOc1ccc(C(=O)C2CC(C)(C)OC2(C)C)c(OC)c1
InChIInChI=1S/C17H24O4/c1-16(2)10-13(17(3,4)21-16)15(18)12-8-7-11(19-5)9-14(12)20-6/h7-9,13H,10H2,1-6H3
InChIKeyQVJDDYQIBRNKBB-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.48
Rot. Bonds4

About (2,4-dimethoxyphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone

(2,4-dimethoxyphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone (PubChem CID 115814029) has the molecular formula C17H24O4 and a molecular weight of 292.38 g/mol. Its IUPAC name is (2,4-dimethoxyphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone.

Molecular Properties

Compound Name(2,4-dimethoxyphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone
PubChem CID115814029
Molecular FormulaC17H24O4
Molecular Weight292.38 g/mol
Exact Mass292.17
IUPAC Name(2,4-dimethoxyphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone
SMILESCOc1ccc(C(=O)C2CC(C)(C)OC2(C)C)c(OC)c1
InChIInChI=1S/C17H24O4/c1-16(2)10-13(17(3,4)21-16)15(18)12-8-7-11(19-5)9-14(12)20-6/h7-9,13H,10H2,1-6H3
InChIKeyQVJDDYQIBRNKBB-UHFFFAOYSA-N
XLogP3.48
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2,4-dimethoxyphenyl)-(4,4-dimethylcyclohexyl)methanone
CID 65391983
5-methoxy-2-(2,2,5,5-tetramethyloxolan-3-yl)oxybenzoic acid
CID 114621017
(3,3-difluorocyclopentyl)-(2,4-dimethoxyphenyl)methanone
CID 114215602
(2,6-dimethyl-3-pyridinyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone
CID 105134922
(4,4-difluorocyclohexyl)-(2,4-dimethoxyphenyl)methanone
CID 105097800
2,3-dihydro-1H-inden-2-yl-(2,4-dimethoxyphenyl)methanone
CID 65406839
2,4-dimethoxybenzoic acid
CID 67450326
2,4-dimethoxybenzoic acid
CID 7052
2-(2,4-dimethoxybenzoyl)-4-methylcyclopentane-1-carboxylic acid
CID 114391792
2,4-dimethoxybenzoate
CID 6947027
(2,4-dimethoxyphenyl)-(3-methyl-1,4-dithian-2-yl)methanone
CID 115385666
(4-chloro-2,5-difluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone
CID 115814122

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethoxyphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone?
The IUPAC name of (2,4-dimethoxyphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone (CID 115814029) is (2,4-dimethoxyphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone.
What is the SMILES notation for (2,4-dimethoxyphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone?
The canonical SMILES for (2,4-dimethoxyphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone is COc1ccc(C(=O)C2CC(C)(C)OC2(C)C)c(OC)c1.
What is the InChIKey of (2,4-dimethoxyphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone?
The InChIKey is QVJDDYQIBRNKBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O4/c1-16(2)10-13(17(3,4)21-16)15(18)12-8-7-11(19-5)9-14(12)20-6/h7-9,13H,10H2,1-6H3.
What are the key properties of (2,4-dimethoxyphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone?
(2,4-dimethoxyphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone has a molecular weight of 292.38 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethoxyphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone is sourced from PubChem (CID 115814029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).