3-chloro-4-(4-chloro-3-methylphenoxy)benzaldehyde

C14H10Cl2O2 — CID 81145845

IUPAC3-chloro-4-(4-chloro-3-methylphenoxy)benzaldehyde
SMILESCc1cc(Oc2ccc(C=O)cc2Cl)ccc1Cl
InChIInChI=1S/C14H10Cl2O2/c1-9-6-11(3-4-12(9)15)18-14-5-2-10(8-17)7-13(14)16/h2-8H,1H3
InChIKeyWZSVTHUGPZJPNK-UHFFFAOYSA-N
MW281.14 g/mol
LogP4.91
Rot. Bonds3

About 3-chloro-4-(4-chloro-3-methylphenoxy)benzaldehyde

3-chloro-4-(4-chloro-3-methylphenoxy)benzaldehyde (PubChem CID 81145845) has the molecular formula C14H10Cl2O2 and a molecular weight of 281.14 g/mol. Its IUPAC name is 3-chloro-4-(4-chloro-3-methylphenoxy)benzaldehyde.

Molecular Properties

Compound Name3-chloro-4-(4-chloro-3-methylphenoxy)benzaldehyde
PubChem CID81145845
Molecular FormulaC14H10Cl2O2
Molecular Weight281.14 g/mol
Exact Mass280.01
IUPAC Name3-chloro-4-(4-chloro-3-methylphenoxy)benzaldehyde
SMILESCc1cc(Oc2ccc(C=O)cc2Cl)ccc1Cl
InChIInChI=1S/C14H10Cl2O2/c1-9-6-11(3-4-12(9)15)18-14-5-2-10(8-17)7-13(14)16/h2-8H,1H3
InChIKeyWZSVTHUGPZJPNK-UHFFFAOYSA-N
XLogP4.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.14
LogP ≤ 54.91
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

(E)-3-[3-chloro-4-(4-chloro-3-methylphenoxy)phenyl]prop-2-enoic acid
CID 81151324
4-(4-tert-butylphenoxy)-3-chlorobenzaldehyde
CID 81151884
3-chloro-4-[(6-methyl-3-pyridinyl)oxy]benzaldehyde
CID 81151107
3-chloro-4-(2-chloro-5-methylphenoxy)benzaldehyde
CID 81152103
3-chloro-4-(4-ethylphenoxy)benzaldehyde
CID 81151574
3-chloro-4-(3-chlorophenoxy)benzaldehyde
CID 81152636
4-(3-bromophenoxy)-3-chlorobenzaldehyde
CID 81152635
3-chloro-4-[4-(2-methoxyethyl)phenoxy]benzaldehyde
CID 81151886
3-chloro-4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbaldehyde
CID 101137815
4-(bromomethyl)-2-chloro-1-(4-chloro-3-methylphenoxy)benzene
CID 107086354
4-(3-chloro-4-nitrophenoxy)-3-methylbenzaldehyde
CID 62121798
4-(3-chloro-4-fluorophenoxy)-3-fluorobenzaldehyde
CID 63877969

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(4-chloro-3-methylphenoxy)benzaldehyde?
The IUPAC name of 3-chloro-4-(4-chloro-3-methylphenoxy)benzaldehyde (CID 81145845) is 3-chloro-4-(4-chloro-3-methylphenoxy)benzaldehyde.
What is the SMILES notation for 3-chloro-4-(4-chloro-3-methylphenoxy)benzaldehyde?
The canonical SMILES for 3-chloro-4-(4-chloro-3-methylphenoxy)benzaldehyde is Cc1cc(Oc2ccc(C=O)cc2Cl)ccc1Cl.
What is the InChIKey of 3-chloro-4-(4-chloro-3-methylphenoxy)benzaldehyde?
The InChIKey is WZSVTHUGPZJPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2O2/c1-9-6-11(3-4-12(9)15)18-14-5-2-10(8-17)7-13(14)16/h2-8H,1H3.
What are the key properties of 3-chloro-4-(4-chloro-3-methylphenoxy)benzaldehyde?
3-chloro-4-(4-chloro-3-methylphenoxy)benzaldehyde has a molecular weight of 281.14 g/mol, XLogP of 4.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(4-chloro-3-methylphenoxy)benzaldehyde is sourced from PubChem (CID 81145845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).