4-(3-chlorophenoxy)-3-methoxybenzaldehyde

C14H11ClO3 — CID 141471481

IUPAC4-(3-chlorophenoxy)-3-methoxybenzaldehyde
SMILESCOc1cc(C=O)ccc1Oc1cccc(Cl)c1
InChIInChI=1S/C14H11ClO3/c1-17-14-7-10(9-16)5-6-13(14)18-12-4-2-3-11(15)8-12/h2-9H,1H3
InChIKeyHFZUTWRRCDUYEB-UHFFFAOYSA-N
MW262.69 g/mol
LogP3.95
Rot. Bonds4

About 4-(3-chlorophenoxy)-3-methoxybenzaldehyde

4-(3-chlorophenoxy)-3-methoxybenzaldehyde (PubChem CID 141471481) has the molecular formula C14H11ClO3 and a molecular weight of 262.69 g/mol. Its IUPAC name is 4-(3-chlorophenoxy)-3-methoxybenzaldehyde.

Molecular Properties

Compound Name4-(3-chlorophenoxy)-3-methoxybenzaldehyde
PubChem CID141471481
Molecular FormulaC14H11ClO3
Molecular Weight262.69 g/mol
Exact Mass262.04
IUPAC Name4-(3-chlorophenoxy)-3-methoxybenzaldehyde
SMILESCOc1cc(C=O)ccc1Oc1cccc(Cl)c1
InChIInChI=1S/C14H11ClO3/c1-17-14-7-10(9-16)5-6-13(14)18-12-4-2-3-11(15)8-12/h2-9H,1H3
InChIKeyHFZUTWRRCDUYEB-UHFFFAOYSA-N
XLogP3.95
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.69
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-4-(3-chlorophenoxy)benzaldehyde
CID 81152636
4-chloro-3-(3-chlorophenoxy)benzaldehyde
CID 170985401
3-(3-methoxyphenoxy)-4-methylbenzaldehyde
CID 105405411
[4-(3-chlorophenoxy)-3-methoxyphenyl]boronic acid
CID 66601935
4-(4-formyl-2-methoxyphenoxy)benzene-1,2-dicarbonitrile
CID 16762075
(4-formyl-2-methoxyphenyl) N-(3-chlorophenyl)carbamate
CID 4738063
4-(2-ethoxy-4-formylphenoxy)-3-methoxybenzaldehyde
CID 174408807
4-(2,4-dimethoxyphenoxy)benzaldehyde
CID 118874779
3-chloro-4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbaldehyde
CID 101137815
4-(3-bromophenoxy)-3-chlorobenzaldehyde
CID 81152635
3-[(3-chlorophenyl)methoxymethyl]-4-methoxybenzaldehyde
CID 65126517
4-[2-(2,5-dichlorophenoxy)ethoxy]-3-methoxybenzaldehyde
CID 2899329

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenoxy)-3-methoxybenzaldehyde?
The IUPAC name of 4-(3-chlorophenoxy)-3-methoxybenzaldehyde (CID 141471481) is 4-(3-chlorophenoxy)-3-methoxybenzaldehyde.
What is the SMILES notation for 4-(3-chlorophenoxy)-3-methoxybenzaldehyde?
The canonical SMILES for 4-(3-chlorophenoxy)-3-methoxybenzaldehyde is COc1cc(C=O)ccc1Oc1cccc(Cl)c1.
What is the InChIKey of 4-(3-chlorophenoxy)-3-methoxybenzaldehyde?
The InChIKey is HFZUTWRRCDUYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClO3/c1-17-14-7-10(9-16)5-6-13(14)18-12-4-2-3-11(15)8-12/h2-9H,1H3.
What are the key properties of 4-(3-chlorophenoxy)-3-methoxybenzaldehyde?
4-(3-chlorophenoxy)-3-methoxybenzaldehyde has a molecular weight of 262.69 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenoxy)-3-methoxybenzaldehyde is sourced from PubChem (CID 141471481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).