4-[(3,4-dichlorophenyl)methoxy]-3-methylbenzaldehyde

C15H12Cl2O2 — CID 23073341

IUPAC4-[(3,4-dichlorophenyl)methoxy]-3-methylbenzaldehyde
SMILESCc1cc(C=O)ccc1OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H12Cl2O2/c1-10-6-11(8-18)3-5-15(10)19-9-12-2-4-13(16)14(17)7-12/h2-8H,9H2,1H3
InChIKeyHLNUYMBKCCDYGP-UHFFFAOYSA-N
MW295.17 g/mol
LogP4.69
Rot. Bonds4

About 4-[(3,4-dichlorophenyl)methoxy]-3-methylbenzaldehyde

4-[(3,4-dichlorophenyl)methoxy]-3-methylbenzaldehyde (PubChem CID 23073341) has the molecular formula C15H12Cl2O2 and a molecular weight of 295.17 g/mol. Its IUPAC name is 4-[(3,4-dichlorophenyl)methoxy]-3-methylbenzaldehyde.

Molecular Properties

Compound Name4-[(3,4-dichlorophenyl)methoxy]-3-methylbenzaldehyde
PubChem CID23073341
Molecular FormulaC15H12Cl2O2
Molecular Weight295.17 g/mol
Exact Mass294.02
IUPAC Name4-[(3,4-dichlorophenyl)methoxy]-3-methylbenzaldehyde
SMILESCc1cc(C=O)ccc1OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H12Cl2O2/c1-10-6-11(8-18)3-5-15(10)19-9-12-2-4-13(16)14(17)7-12/h2-8H,9H2,1H3
InChIKeyHLNUYMBKCCDYGP-UHFFFAOYSA-N
XLogP4.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.17
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(1,3-benzodioxol-5-ylmethoxy)-3-methylbenzaldehyde
CID 79111108
3-chloro-4-[(4-chlorophenyl)methoxy]benzaldehyde
CID 818787
3-[(4-chlorophenyl)methoxy]-4-methoxybenzaldehyde
CID 876941
4-[(2-chloro-6-fluoro-3-methylphenyl)methoxy]-3-methylbenzaldehyde;4-fluoro-3-methylbenzaldehyde
CID 178142539
2-[(3,4-dichlorophenyl)methoxy]-5-methylphenol
CID 82051885
3-bromo-5-chloro-4-[(3,4-dichlorophenyl)methoxy]benzaldehyde
CID 21211233
3-[(3,4-dichlorophenyl)methoxy]-4-methylbenzoic acid
CID 45311939
methyl (E)-3-[3-chloro-4-[(3,4-dichlorophenyl)methoxy]phenyl]prop-2-enoate
CID 91684816
3-[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]prop-2-enoic acid
CID 4220929
3-fluoro-4-[(3-fluoro-4-methoxyphenyl)methoxy]benzaldehyde
CID 103850009
2-(bromomethyl)-1-[(3,4-dichlorophenyl)methoxy]-4-methylbenzene
CID 63535589
(NZ)-N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]benzenesulfonamide
CID 110518689

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dichlorophenyl)methoxy]-3-methylbenzaldehyde?
The IUPAC name of 4-[(3,4-dichlorophenyl)methoxy]-3-methylbenzaldehyde (CID 23073341) is 4-[(3,4-dichlorophenyl)methoxy]-3-methylbenzaldehyde.
What is the SMILES notation for 4-[(3,4-dichlorophenyl)methoxy]-3-methylbenzaldehyde?
The canonical SMILES for 4-[(3,4-dichlorophenyl)methoxy]-3-methylbenzaldehyde is Cc1cc(C=O)ccc1OCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-[(3,4-dichlorophenyl)methoxy]-3-methylbenzaldehyde?
The InChIKey is HLNUYMBKCCDYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2O2/c1-10-6-11(8-18)3-5-15(10)19-9-12-2-4-13(16)14(17)7-12/h2-8H,9H2,1H3.
What are the key properties of 4-[(3,4-dichlorophenyl)methoxy]-3-methylbenzaldehyde?
4-[(3,4-dichlorophenyl)methoxy]-3-methylbenzaldehyde has a molecular weight of 295.17 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dichlorophenyl)methoxy]-3-methylbenzaldehyde is sourced from PubChem (CID 23073341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).