methoxymethylbenzene

C8H10O — CID 10869

IUPACmethoxymethylbenzene
SMILESCOCc1ccccc1
InChIInChI=1S/C8H10O/c1-9-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKeyGQKZBCPTCWJTAS-UHFFFAOYSA-N
MW122.17 g/mol
LogP1.83
Rot. Bonds2

About methoxymethylbenzene

methoxymethylbenzene (PubChem CID 10869) has the molecular formula C8H10O and a molecular weight of 122.17 g/mol. Its IUPAC name is methoxymethylbenzene.

Molecular Properties

Compound Namemethoxymethylbenzene
PubChem CID10869
Molecular FormulaC8H10O
Molecular Weight122.17 g/mol
Exact Mass122.07
IUPAC Namemethoxymethylbenzene
SMILESCOCc1ccccc1
InChIInChI=1S/C8H10O/c1-9-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKeyGQKZBCPTCWJTAS-UHFFFAOYSA-N
XLogP1.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Benzyl Alcohol
CID 244
Benzyl acetate
CID 8785
Styrene Oxide
CID 7276
1-Phenylethanol
CID 7409
1-Phenyl-1-propanol
CID 7147
4-Methylbenzyl alcohol
CID 11505
Dibenzyl ether
CID 7657
Benzyl formate
CID 7708
Benzyl butyrate
CID 7650
Benzyl tiglate
CID 250096
(S)-styrene oxide
CID 114946
Benzaldehyde dimethyl acetal
CID 62375

Frequently Asked Questions

What is the IUPAC name of methoxymethylbenzene?
The IUPAC name of methoxymethylbenzene (CID 10869) is methoxymethylbenzene.
What is the SMILES notation for methoxymethylbenzene?
The canonical SMILES for methoxymethylbenzene is COCc1ccccc1.
What is the InChIKey of methoxymethylbenzene?
The InChIKey is GQKZBCPTCWJTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O/c1-9-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3.
What are the key properties of methoxymethylbenzene?
methoxymethylbenzene has a molecular weight of 122.17 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethylbenzene is sourced from PubChem (CID 10869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).