5-chloro-3-methoxy-2-(3-methoxycyclohexyl)oxybenzaldehyde

C15H19ClO4 — CID 104665311

IUPAC5-chloro-3-methoxy-2-(3-methoxycyclohexyl)oxybenzaldehyde
SMILESCOc1cc(Cl)cc(C=O)c1OC1CCCC(OC)C1
InChIInChI=1S/C15H19ClO4/c1-18-12-4-3-5-13(8-12)20-15-10(9-17)6-11(16)7-14(15)19-2/h6-7,9,12-13H,3-5,8H2,1-2H3
InChIKeyRFKGUAWLBZAQJL-UHFFFAOYSA-N
MW298.77 g/mol
LogP3.50
Rot. Bonds5

About 5-chloro-3-methoxy-2-(3-methoxycyclohexyl)oxybenzaldehyde

5-chloro-3-methoxy-2-(3-methoxycyclohexyl)oxybenzaldehyde (PubChem CID 104665311) has the molecular formula C15H19ClO4 and a molecular weight of 298.77 g/mol. Its IUPAC name is 5-chloro-3-methoxy-2-(3-methoxycyclohexyl)oxybenzaldehyde.

Molecular Properties

Compound Name5-chloro-3-methoxy-2-(3-methoxycyclohexyl)oxybenzaldehyde
PubChem CID104665311
Molecular FormulaC15H19ClO4
Molecular Weight298.77 g/mol
Exact Mass298.10
IUPAC Name5-chloro-3-methoxy-2-(3-methoxycyclohexyl)oxybenzaldehyde
SMILESCOc1cc(Cl)cc(C=O)c1OC1CCCC(OC)C1
InChIInChI=1S/C15H19ClO4/c1-18-12-4-3-5-13(8-12)20-15-10(9-17)6-11(16)7-14(15)19-2/h6-7,9,12-13H,3-5,8H2,1-2H3
InChIKeyRFKGUAWLBZAQJL-UHFFFAOYSA-N
XLogP3.50
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-chloro-3-methoxy-2-(3-methoxycyclohexyl)oxybenzaldehyde 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

5-chloro-2-(3,5-dimethylcyclohexyl)oxy-3-methoxybenzaldehyde
CID 104665549
(E)-3-(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)prop-2-en-1-amine
CID 117423212
5-chloro-2-cyclobutyloxy-3-methoxyphenol
CID 84692205
5-chloro-2-cyclohexyloxy-3-methoxybenzoic acid
CID 113438795
5-chloro-3-methoxy-2-(methoxymethoxy)benzaldehyde
CID 104665527
O-[(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)methyl]hydroxylamine
CID 117397784
1-(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)-N-methoxymethanamine
CID 117432330
1-(5-chloro-2-cyclopentyloxy-3-methoxyphenyl)cyclopropan-1-ol
CID 117454602
1-(5-chloro-2-cyclopentyloxy-3-methoxyphenyl)cyclopentan-1-amine
CID 117494437
4-(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)butanoic acid
CID 117481287
2-(5-chloro-2-cyclopentyloxy-3-methoxyphenyl)piperidine
CID 117494554
5-chloro-2-cyclopentyloxy-1-(1-isocyanatocyclopropyl)-3-methoxybenzene
CID 117492686

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-methoxy-2-(3-methoxycyclohexyl)oxybenzaldehyde?
The IUPAC name of 5-chloro-3-methoxy-2-(3-methoxycyclohexyl)oxybenzaldehyde (CID 104665311) is 5-chloro-3-methoxy-2-(3-methoxycyclohexyl)oxybenzaldehyde.
What is the SMILES notation for 5-chloro-3-methoxy-2-(3-methoxycyclohexyl)oxybenzaldehyde?
The canonical SMILES for 5-chloro-3-methoxy-2-(3-methoxycyclohexyl)oxybenzaldehyde is COc1cc(Cl)cc(C=O)c1OC1CCCC(OC)C1.
What is the InChIKey of 5-chloro-3-methoxy-2-(3-methoxycyclohexyl)oxybenzaldehyde?
The InChIKey is RFKGUAWLBZAQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClO4/c1-18-12-4-3-5-13(8-12)20-15-10(9-17)6-11(16)7-14(15)19-2/h6-7,9,12-13H,3-5,8H2,1-2H3.
What are the key properties of 5-chloro-3-methoxy-2-(3-methoxycyclohexyl)oxybenzaldehyde?
5-chloro-3-methoxy-2-(3-methoxycyclohexyl)oxybenzaldehyde has a molecular weight of 298.77 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-methoxy-2-(3-methoxycyclohexyl)oxybenzaldehyde is sourced from PubChem (CID 104665311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).