1-(2,2-dimethylcyclopropyl)-4-methoxy-2-(methoxymethyl)-3-methylbenzene

C15H22O2 — CID 175297851

IUPAC1-(2,2-dimethylcyclopropyl)-4-methoxy-2-(methoxymethyl)-3-methylbenzene
SMILESCOCc1c(C2CC2(C)C)ccc(OC)c1C
InChIInChI=1S/C15H22O2/c1-10-12(9-16-4)11(6-7-14(10)17-5)13-8-15(13,2)3/h6-7,13H,8-9H2,1-5H3
InChIKeyNOHPEACECVQPIR-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.66
Rot. Bonds4

About 1-(2,2-dimethylcyclopropyl)-4-methoxy-2-(methoxymethyl)-3-methylbenzene

1-(2,2-dimethylcyclopropyl)-4-methoxy-2-(methoxymethyl)-3-methylbenzene (PubChem CID 175297851) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclopropyl)-4-methoxy-2-(methoxymethyl)-3-methylbenzene.

Molecular Properties

Compound Name1-(2,2-dimethylcyclopropyl)-4-methoxy-2-(methoxymethyl)-3-methylbenzene
PubChem CID175297851
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name1-(2,2-dimethylcyclopropyl)-4-methoxy-2-(methoxymethyl)-3-methylbenzene
SMILESCOCc1c(C2CC2(C)C)ccc(OC)c1C
InChIInChI=1S/C15H22O2/c1-10-12(9-16-4)11(6-7-14(10)17-5)13-8-15(13,2)3/h6-7,13H,8-9H2,1-5H3
InChIKeyNOHPEACECVQPIR-UHFFFAOYSA-N
XLogP3.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-dimethoxy-2-(methoxymethyl)benzene
CID 86183606
O-[(3,6-dimethoxy-2-methylphenyl)methyl]hydroxylamine
CID 117286966
1-[[3,6-dimethoxy-2-(methoxymethyl)phenyl]methyl]cyclopropan-1-ol
CID 117384074
4-(4-methoxy-2,3-dimethylphenyl)cyclohexan-1-ol
CID 116963253
2-benzyl-4-methoxy-3-methylphenol
CID 70517924
3-(4-methoxy-2,3-dimethylphenyl)azetidine
CID 82281458
2-(3,6-dimethoxy-2-methylphenyl)ethanol
CID 117286361
1-[3-methoxy-2-(methoxymethyl)phenyl]cyclopropan-1-ol
CID 117297699
2-butyl-4-methoxy-3-methylaniline
CID 134964054
4-(2,2-dimethylcyclopropyl)-2-fluoro-1-methoxybenzene
CID 165178047
1-bromo-4,7-dimethoxy-3,3-dimethyl-1,2-dihydroindene
CID 79837496
1-chloro-2-ethyl-4-methoxy-3-methylbenzene
CID 118491478

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclopropyl)-4-methoxy-2-(methoxymethyl)-3-methylbenzene?
The IUPAC name of 1-(2,2-dimethylcyclopropyl)-4-methoxy-2-(methoxymethyl)-3-methylbenzene (CID 175297851) is 1-(2,2-dimethylcyclopropyl)-4-methoxy-2-(methoxymethyl)-3-methylbenzene.
What is the SMILES notation for 1-(2,2-dimethylcyclopropyl)-4-methoxy-2-(methoxymethyl)-3-methylbenzene?
The canonical SMILES for 1-(2,2-dimethylcyclopropyl)-4-methoxy-2-(methoxymethyl)-3-methylbenzene is COCc1c(C2CC2(C)C)ccc(OC)c1C.
What is the InChIKey of 1-(2,2-dimethylcyclopropyl)-4-methoxy-2-(methoxymethyl)-3-methylbenzene?
The InChIKey is NOHPEACECVQPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-10-12(9-16-4)11(6-7-14(10)17-5)13-8-15(13,2)3/h6-7,13H,8-9H2,1-5H3.
What are the key properties of 1-(2,2-dimethylcyclopropyl)-4-methoxy-2-(methoxymethyl)-3-methylbenzene?
1-(2,2-dimethylcyclopropyl)-4-methoxy-2-(methoxymethyl)-3-methylbenzene has a molecular weight of 234.34 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclopropyl)-4-methoxy-2-(methoxymethyl)-3-methylbenzene is sourced from PubChem (CID 175297851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).