3-chloro-4-(2-chloro-5-methylphenoxy)benzaldehyde

C14H10Cl2O2 — CID 81152103

IUPAC3-chloro-4-(2-chloro-5-methylphenoxy)benzaldehyde
SMILESCc1ccc(Cl)c(Oc2ccc(C=O)cc2Cl)c1
InChIInChI=1S/C14H10Cl2O2/c1-9-2-4-11(15)14(6-9)18-13-5-3-10(8-17)7-12(13)16/h2-8H,1H3
InChIKeySWBNJKCNYWJLKK-UHFFFAOYSA-N
MW281.14 g/mol
LogP4.91
Rot. Bonds3

About 3-chloro-4-(2-chloro-5-methylphenoxy)benzaldehyde

3-chloro-4-(2-chloro-5-methylphenoxy)benzaldehyde (PubChem CID 81152103) has the molecular formula C14H10Cl2O2 and a molecular weight of 281.14 g/mol. Its IUPAC name is 3-chloro-4-(2-chloro-5-methylphenoxy)benzaldehyde.

Molecular Properties

Compound Name3-chloro-4-(2-chloro-5-methylphenoxy)benzaldehyde
PubChem CID81152103
Molecular FormulaC14H10Cl2O2
Molecular Weight281.14 g/mol
Exact Mass280.01
IUPAC Name3-chloro-4-(2-chloro-5-methylphenoxy)benzaldehyde
SMILESCc1ccc(Cl)c(Oc2ccc(C=O)cc2Cl)c1
InChIInChI=1S/C14H10Cl2O2/c1-9-2-4-11(15)14(6-9)18-13-5-3-10(8-17)7-12(13)16/h2-8H,1H3
InChIKeySWBNJKCNYWJLKK-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

3-chloro-4-(4-chloro-3-methylphenoxy)benzaldehyde
CID 81145845
3-(2,5-dimethylphenoxy)-4-methylbenzaldehyde
CID 105405428
3-chloro-4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbaldehyde
CID 101137815
4-[3-(2-chloro-5-methylphenoxy)propoxy]-3-methoxybenzaldehyde
CID 2292017
3-(2-chloro-4-methylphenoxy)-5-fluorobenzaldehyde
CID 106529572
(2-chloro-4-formylphenyl) 4-methylbenzenesulfonate
CID 4770033
4-(4-tert-butylphenoxy)-3-chlorobenzaldehyde
CID 81151884
3-chloro-4-[(6-methyl-3-pyridinyl)oxy]benzaldehyde
CID 81151107
2-(2-chloro-5-methylphenoxy)-6-fluorobenzaldehyde
CID 114065194
3-chloro-4-(4-ethylphenoxy)benzaldehyde
CID 81151574
carbanide;3,4-dimethoxybenzaldehyde;1,2-dimethoxy-4-methylbenzene;palladium
CID 158784293
3-chloro-4-(1,3,5-trimethylpyrazol-4-yl)oxybenzaldehyde
CID 81151684

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(2-chloro-5-methylphenoxy)benzaldehyde?
The IUPAC name of 3-chloro-4-(2-chloro-5-methylphenoxy)benzaldehyde (CID 81152103) is 3-chloro-4-(2-chloro-5-methylphenoxy)benzaldehyde.
What is the SMILES notation for 3-chloro-4-(2-chloro-5-methylphenoxy)benzaldehyde?
The canonical SMILES for 3-chloro-4-(2-chloro-5-methylphenoxy)benzaldehyde is Cc1ccc(Cl)c(Oc2ccc(C=O)cc2Cl)c1.
What is the InChIKey of 3-chloro-4-(2-chloro-5-methylphenoxy)benzaldehyde?
The InChIKey is SWBNJKCNYWJLKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2O2/c1-9-2-4-11(15)14(6-9)18-13-5-3-10(8-17)7-12(13)16/h2-8H,1H3.
What are the key properties of 3-chloro-4-(2-chloro-5-methylphenoxy)benzaldehyde?
3-chloro-4-(2-chloro-5-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-(2-chloro-5-methylphenoxy)benzaldehyde is sourced from PubChem (CID 81152103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).