2-(cyclopropylmethyl)-1,3-dimethoxybenzene

C12H16O2 — CID 123548705

IUPAC2-(cyclopropylmethyl)-1,3-dimethoxybenzene
SMILESCOc1cccc(OC)c1CC1CC1
InChIInChI=1S/C12H16O2/c1-13-11-4-3-5-12(14-2)10(11)8-9-6-7-9/h3-5,9H,6-8H2,1-2H3
InChIKeyFMMXYSKVYQOEBE-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.66
Rot. Bonds4

About 2-(cyclopropylmethyl)-1,3-dimethoxybenzene

2-(cyclopropylmethyl)-1,3-dimethoxybenzene (PubChem CID 123548705) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-1,3-dimethoxybenzene.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-1,3-dimethoxybenzene
PubChem CID123548705
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name2-(cyclopropylmethyl)-1,3-dimethoxybenzene
SMILESCOc1cccc(OC)c1CC1CC1
InChIInChI=1S/C12H16O2/c1-13-11-4-3-5-12(14-2)10(11)8-9-6-7-9/h3-5,9H,6-8H2,1-2H3
InChIKeyFMMXYSKVYQOEBE-UHFFFAOYSA-N
XLogP2.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-fluoro-6-methoxyphenyl)methyl]piperidine
CID 83809598
1-methoxy-2-[(4-propylcyclohexyl)methyl]benzene
CID 141394597
3-[(2-bromo-6-methoxyphenyl)methyl]piperidine
CID 84812911
4-[(2-methoxy-6-naphthalen-2-ylphenyl)methyl]piperidine
CID 17039512
1,3-dimethoxy-2-(methoxymethyl)benzene
CID 86183606
2-bromo-1-(cyclopropylmethoxy)-3-methoxybenzene
CID 171373950
4-[(2-methoxy-6-naphthalen-2-ylphenyl)methyl]piperidine;hydrochloride
CID 17039511
2-methoxy-6-(piperidin-4-ylmethyl)phenol
CID 117316216
[2-(cyclopropylmethoxy)-3-methoxyphenyl]methanol
CID 43560490
(1R)-2-cyclopropyl-1-(2,6-dimethoxyphenyl)ethanamine;hydrochloride
CID 171201176
3-[[2-methoxy-6-(trifluoromethyl)phenyl]methyl]piperidine
CID 84810049
1-(cyclopent-3-en-1-ylmethyl)-2-methoxybenzene
CID 23391764

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-1,3-dimethoxybenzene?
The IUPAC name of 2-(cyclopropylmethyl)-1,3-dimethoxybenzene (CID 123548705) is 2-(cyclopropylmethyl)-1,3-dimethoxybenzene.
What is the SMILES notation for 2-(cyclopropylmethyl)-1,3-dimethoxybenzene?
The canonical SMILES for 2-(cyclopropylmethyl)-1,3-dimethoxybenzene is COc1cccc(OC)c1CC1CC1.
What is the InChIKey of 2-(cyclopropylmethyl)-1,3-dimethoxybenzene?
The InChIKey is FMMXYSKVYQOEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-13-11-4-3-5-12(14-2)10(11)8-9-6-7-9/h3-5,9H,6-8H2,1-2H3.
What are the key properties of 2-(cyclopropylmethyl)-1,3-dimethoxybenzene?
2-(cyclopropylmethyl)-1,3-dimethoxybenzene has a molecular weight of 192.26 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-1,3-dimethoxybenzene is sourced from PubChem (CID 123548705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).