1,2-dimethoxybenzene;propanal

C11H16O3 — CID 174258099

IUPAC1,2-dimethoxybenzene;propanal
SMILESCCC=O.COc1ccccc1OC
InChIInChI=1S/C8H10O2.C3H6O/c1-9-7-5-3-4-6-8(7)10-2;1-2-3-4/h3-6H,1-2H3;3H,2H2,1H3
InChIKeyABNIFYPMAZLGCG-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.30
Rot. Bonds3

About 1,2-dimethoxybenzene;propanal

1,2-dimethoxybenzene;propanal (PubChem CID 174258099) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 1,2-dimethoxybenzene;propanal.

Molecular Properties

Compound Name1,2-dimethoxybenzene;propanal
PubChem CID174258099
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name1,2-dimethoxybenzene;propanal
SMILESCCC=O.COc1ccccc1OC
InChIInChI=1S/C8H10O2.C3H6O/c1-9-7-5-3-4-6-8(7)10-2;1-2-3-4/h3-6H,1-2H3;3H,2H2,1H3
InChIKeyABNIFYPMAZLGCG-UHFFFAOYSA-N
XLogP2.30
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

propanal;1,2,3-trimethoxybenzene
CID 174975216
1,2-dimethoxybenzene;dihydrochloride
CID 19834650
azane;1,2-dimethoxybenzene
CID 174437926
1,2-diethylbenzene;propanal
CID 174478177
2-(2-methoxyphenoxy)propanal
CID 123413169
1,2-dimethoxybenzene;molecular nitrogen;hydrochloride
CID 173306958
tris(1-methoxy-2-methylbenzene);propane
CID 158759517
diethyl-(2-methoxyphenoxy)gallane
CID 135082184
(Z)-3-(2-methoxyphenyl)pent-2-enal
CID 115018197
2-oxoethyl 2-methoxybenzoate
CID 87871956
2-[(2-methoxyphenyl)methyl]butanal
CID 83830148
2-(3-methoxy-2-methylphenyl)acetaldehyde
CID 144630578

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxybenzene;propanal?
The IUPAC name of 1,2-dimethoxybenzene;propanal (CID 174258099) is 1,2-dimethoxybenzene;propanal.
What is the SMILES notation for 1,2-dimethoxybenzene;propanal?
The canonical SMILES for 1,2-dimethoxybenzene;propanal is CCC=O.COc1ccccc1OC.
What is the InChIKey of 1,2-dimethoxybenzene;propanal?
The InChIKey is ABNIFYPMAZLGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2.C3H6O/c1-9-7-5-3-4-6-8(7)10-2;1-2-3-4/h3-6H,1-2H3;3H,2H2,1H3.
What are the key properties of 1,2-dimethoxybenzene;propanal?
1,2-dimethoxybenzene;propanal has a molecular weight of 196.25 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxybenzene;propanal is sourced from PubChem (CID 174258099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).