3-methoxy-4,5-di(propan-2-yloxy)benzaldehyde

C14H20O4 — CID 15410462

IUPAC3-methoxy-4,5-di(propan-2-yloxy)benzaldehyde
SMILESCOc1cc(C=O)cc(OC(C)C)c1OC(C)C
InChIInChI=1S/C14H20O4/c1-9(2)17-13-7-11(8-15)6-12(16-5)14(13)18-10(3)4/h6-10H,1-5H3
InChIKeyKMPLUPRVPZCTAD-UHFFFAOYSA-N
MW252.31 g/mol
LogP3.08
Rot. Bonds6

About 3-methoxy-4,5-di(propan-2-yloxy)benzaldehyde

3-methoxy-4,5-di(propan-2-yloxy)benzaldehyde (PubChem CID 15410462) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is 3-methoxy-4,5-di(propan-2-yloxy)benzaldehyde.

Molecular Properties

Compound Name3-methoxy-4,5-di(propan-2-yloxy)benzaldehyde
PubChem CID15410462
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name3-methoxy-4,5-di(propan-2-yloxy)benzaldehyde
SMILESCOc1cc(C=O)cc(OC(C)C)c1OC(C)C
InChIInChI=1S/C14H20O4/c1-9(2)17-13-7-11(8-15)6-12(16-5)14(13)18-10(3)4/h6-10H,1-5H3
InChIKeyKMPLUPRVPZCTAD-UHFFFAOYSA-N
XLogP3.08
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-methoxy-4,5-di(propan-2-yloxy)benzaldehyde 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

4-but-3-en-2-yloxy-3,5-dimethoxybenzaldehyde
CID 148626263
ethane;3,4,5-trimethoxybenzaldehyde
CID 143400832
1,3-dimethoxy-5-(2-nitroprop-1-enyl)-2-propan-2-yloxybenzene
CID 86212882
2-(2-bromo-4-formyl-6-methoxyphenoxy)propanoic acid
CID 4763755
3-ethyl-4,5-dimethoxybenzaldehyde
CID 88965998
4-iodo-3,5-dimethoxybenzaldehyde
CID 11300800
methyl (2R)-2-(2-chloro-4-formyl-6-methoxyphenoxy)propanoate
CID 42573597
N-carbamoyl-2-(2-chloro-4-formyl-6-methoxyphenoxy)propanamide
CID 43117158
(2-fluoro-5-formyl-3-propan-2-yloxyphenyl)boronic acid
CID 171367851
3,5-dimethoxy-4-(3-methylbutylsulfanyl)benzaldehyde
CID 165123507
CID 70998948
CID 70998948
3,4-dimethoxy-5-(methoxymethyl)benzaldehyde
CID 117275838

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4,5-di(propan-2-yloxy)benzaldehyde?
The IUPAC name of 3-methoxy-4,5-di(propan-2-yloxy)benzaldehyde (CID 15410462) is 3-methoxy-4,5-di(propan-2-yloxy)benzaldehyde.
What is the SMILES notation for 3-methoxy-4,5-di(propan-2-yloxy)benzaldehyde?
The canonical SMILES for 3-methoxy-4,5-di(propan-2-yloxy)benzaldehyde is COc1cc(C=O)cc(OC(C)C)c1OC(C)C.
What is the InChIKey of 3-methoxy-4,5-di(propan-2-yloxy)benzaldehyde?
The InChIKey is KMPLUPRVPZCTAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4/c1-9(2)17-13-7-11(8-15)6-12(16-5)14(13)18-10(3)4/h6-10H,1-5H3.
What are the key properties of 3-methoxy-4,5-di(propan-2-yloxy)benzaldehyde?
3-methoxy-4,5-di(propan-2-yloxy)benzaldehyde has a molecular weight of 252.31 g/mol, XLogP of 3.08, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4,5-di(propan-2-yloxy)benzaldehyde is sourced from PubChem (CID 15410462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).