1,2-dimethoxybenzene;4-hydroxy-3-methoxybenzaldehyde

C16H18O5 — CID 175414068

IUPAC1,2-dimethoxybenzene;4-hydroxy-3-methoxybenzaldehyde
SMILESCOc1cc(C=O)ccc1O.COc1ccccc1OC
InChIInChI=1S/C8H8O3.C8H10O2/c1-11-8-4-6(5-9)2-3-7(8)10;1-9-7-5-3-4-6-8(7)10-2/h2-5,10H,1H3;3-6H,1-2H3
InChIKeyKOBLBZMJLUKTHG-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.92
Rot. Bonds4

About 1,2-dimethoxybenzene;4-hydroxy-3-methoxybenzaldehyde

1,2-dimethoxybenzene;4-hydroxy-3-methoxybenzaldehyde (PubChem CID 175414068) has the molecular formula C16H18O5 and a molecular weight of 290.32 g/mol. Its IUPAC name is 1,2-dimethoxybenzene;4-hydroxy-3-methoxybenzaldehyde.

Molecular Properties

Compound Name1,2-dimethoxybenzene;4-hydroxy-3-methoxybenzaldehyde
PubChem CID175414068
Molecular FormulaC16H18O5
Molecular Weight290.32 g/mol
Exact Mass290.12
IUPAC Name1,2-dimethoxybenzene;4-hydroxy-3-methoxybenzaldehyde
SMILESCOc1cc(C=O)ccc1O.COc1ccccc1OC
InChIInChI=1S/C8H8O3.C8H10O2/c1-11-8-4-6(5-9)2-3-7(8)10;1-9-7-5-3-4-6-8(7)10-2/h2-5,10H,1H3;3-6H,1-2H3
InChIKeyKOBLBZMJLUKTHG-UHFFFAOYSA-N
XLogP2.92
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1,2-dimethoxybenzene;4-hydroxy-3-methoxybenzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-dimethoxybenzaldehyde;4-hydroxy-3-methoxybenzaldehyde
CID 174683420
CID 130345281
CID 130345281
4-hydroxy-3-methoxybenzaldehyde;sulfuric acid
CID 174785740
furan;4-hydroxy-3-methoxybenzaldehyde
CID 174443799
4-hydroxy-3-methoxybenzaldehyde;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane
CID 139058422
4-hydroxy-3-methoxybenzaldehyde;2-methylpropanoic acid
CID 53442983
4-hydroxy-3-methoxybenzaldehyde;triphenoxy(sulfanylidene)-λ5-phosphane
CID 175505824
4-hydroxy-3-methoxybenzaldehyde;propane-1,2,3-triol
CID 138752381
4-hydroxy-3-methylperoxybenzaldehyde
CID 131965744
3-hydroxy-4-methoxybenzaldehyde
CID 87256894
4-hydroxy-3-methoxybenzaldehyde;3-methylbutanoic acid
CID 134284747
3-methoxy-4-[2-(2-methoxyphenoxy)ethoxy]benzaldehyde
CID 3738735

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxybenzene;4-hydroxy-3-methoxybenzaldehyde?
The IUPAC name of 1,2-dimethoxybenzene;4-hydroxy-3-methoxybenzaldehyde (CID 175414068) is 1,2-dimethoxybenzene;4-hydroxy-3-methoxybenzaldehyde.
What is the SMILES notation for 1,2-dimethoxybenzene;4-hydroxy-3-methoxybenzaldehyde?
The canonical SMILES for 1,2-dimethoxybenzene;4-hydroxy-3-methoxybenzaldehyde is COc1cc(C=O)ccc1O.COc1ccccc1OC.
What is the InChIKey of 1,2-dimethoxybenzene;4-hydroxy-3-methoxybenzaldehyde?
The InChIKey is KOBLBZMJLUKTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O3.C8H10O2/c1-11-8-4-6(5-9)2-3-7(8)10;1-9-7-5-3-4-6-8(7)10-2/h2-5,10H,1H3;3-6H,1-2H3.
What are the key properties of 1,2-dimethoxybenzene;4-hydroxy-3-methoxybenzaldehyde?
1,2-dimethoxybenzene;4-hydroxy-3-methoxybenzaldehyde has a molecular weight of 290.32 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxybenzene;4-hydroxy-3-methoxybenzaldehyde is sourced from PubChem (CID 175414068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).