2-methoxy-4-(methoxymethyl)-1-methylbenzene

C10H14O2 — CID 91136887

IUPAC2-methoxy-4-(methoxymethyl)-1-methylbenzene
SMILESCOCc1ccc(C)c(OC)c1
InChIInChI=1S/C10H14O2/c1-8-4-5-9(7-11-2)6-10(8)12-3/h4-6H,7H2,1-3H3
InChIKeyNZCYWVPVRRRAMS-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.15
Rot. Bonds3

About 2-methoxy-4-(methoxymethyl)-1-methylbenzene

2-methoxy-4-(methoxymethyl)-1-methylbenzene (PubChem CID 91136887) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 2-methoxy-4-(methoxymethyl)-1-methylbenzene.

Molecular Properties

Compound Name2-methoxy-4-(methoxymethyl)-1-methylbenzene
PubChem CID91136887
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name2-methoxy-4-(methoxymethyl)-1-methylbenzene
SMILESCOCc1ccc(C)c(OC)c1
InChIInChI=1S/C10H14O2/c1-8-4-5-9(7-11-2)6-10(8)12-3/h4-6H,7H2,1-3H3
InChIKeyNZCYWVPVRRRAMS-UHFFFAOYSA-N
XLogP2.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methoxy-4-methylphenyl)ethanamine
CID 13015320
N-[(3-methoxy-4-methylphenyl)methyl]hydroxylamine
CID 117276489
ethane;6-(methoxymethyl)-1,4-dimethylnaphthalene
CID 144628843
4-(3-bromopropyl)-2-methoxy-1-methylbenzene
CID 18626504
1-(3-methoxy-4-methylphenyl)-2-methylpropan-2-amine
CID 83698352
ethane;2-methoxy-1-methyl-4-prop-2-enylbenzene
CID 142811862
1,2-dimethoxy-4-(methoxymethyl)benzene;sulfuryl dichloride
CID 87637876
1,3-dimethoxy-2-[(3-methoxy-4-methylphenyl)methyl]benzene
CID 139567756
4-(methoxymethyl)-1-methyl-2-phenylmethoxybenzene;phenylmethanol
CID 159469456
1,4-bis(methoxymethyl)-2-methylbenzene
CID 19879640
7-(methoxymethyl)-1,2-dimethylnaphthalene
CID 144628840
4-(methoxymethyl)-2-methylbenzenethiol
CID 123188864

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(methoxymethyl)-1-methylbenzene?
The IUPAC name of 2-methoxy-4-(methoxymethyl)-1-methylbenzene (CID 91136887) is 2-methoxy-4-(methoxymethyl)-1-methylbenzene.
What is the SMILES notation for 2-methoxy-4-(methoxymethyl)-1-methylbenzene?
The canonical SMILES for 2-methoxy-4-(methoxymethyl)-1-methylbenzene is COCc1ccc(C)c(OC)c1.
What is the InChIKey of 2-methoxy-4-(methoxymethyl)-1-methylbenzene?
The InChIKey is NZCYWVPVRRRAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-8-4-5-9(7-11-2)6-10(8)12-3/h4-6H,7H2,1-3H3.
What are the key properties of 2-methoxy-4-(methoxymethyl)-1-methylbenzene?
2-methoxy-4-(methoxymethyl)-1-methylbenzene has a molecular weight of 166.22 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(methoxymethyl)-1-methylbenzene is sourced from PubChem (CID 91136887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).