2-(2-chloroethoxy)-5-methoxybenzaldehyde

C10H11ClO3 — CID 3828469

IUPAC2-(2-chloroethoxy)-5-methoxybenzaldehyde
SMILESCOc1ccc(OCCCl)c(C=O)c1
InChIInChI=1S/C10H11ClO3/c1-13-9-2-3-10(14-5-4-11)8(6-9)7-12/h2-3,6-7H,4-5H2,1H3
InChIKeyGJYXTWHAKVEJBD-UHFFFAOYSA-N
MW214.65 g/mol
LogP2.13
Rot. Bonds5

About 2-(2-chloroethoxy)-5-methoxybenzaldehyde

2-(2-chloroethoxy)-5-methoxybenzaldehyde (PubChem CID 3828469) has the molecular formula C10H11ClO3 and a molecular weight of 214.65 g/mol. Its IUPAC name is 2-(2-chloroethoxy)-5-methoxybenzaldehyde.

Molecular Properties

Compound Name2-(2-chloroethoxy)-5-methoxybenzaldehyde
PubChem CID3828469
Molecular FormulaC10H11ClO3
Molecular Weight214.65 g/mol
Exact Mass214.04
IUPAC Name2-(2-chloroethoxy)-5-methoxybenzaldehyde
SMILESCOc1ccc(OCCCl)c(C=O)c1
InChIInChI=1S/C10H11ClO3/c1-13-9-2-3-10(14-5-4-11)8(6-9)7-12/h2-3,6-7H,4-5H2,1H3
InChIKeyGJYXTWHAKVEJBD-UHFFFAOYSA-N
XLogP2.13
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(2-formyl-4-methoxyphenoxy)butoxy]-5-methoxybenzaldehyde
CID 11850864
5-methoxy-2-undecoxybenzaldehyde
CID 15617492
5-methoxy-2-(3-methoxy-3-methylbutoxy)benzaldehyde
CID 103033823
2-(2,2-difluoroethoxy)-5-methoxybenzaldehyde
CID 60922402
2-(2-hydroxy-2-methylpropoxy)-5-methoxybenzaldehyde
CID 60884654
4-(2-formyl-4-methoxyphenoxy)-N-methylbutanamide
CID 63890145
5-methoxy-2-[2-(2,2,2-trifluoroethoxy)ethoxy]benzaldehyde
CID 61490800
2-(2,2-diethoxyethoxy)-5-methoxybenzaldehyde
CID 59603127
N-cyclopropyl-3-(2-formyl-4-methoxyphenoxy)propanamide
CID 55098349
2-[(2,5-dichlorophenyl)methoxy]-5-methoxybenzaldehyde
CID 65317291
2-[2-(2-tert-butyl-4-methoxyphenoxy)ethoxy]-5-chlorobenzaldehyde
CID 22687213
deuterio(fluoro)methane;5-methoxy-2-(methoxymethoxy)benzaldehyde;1-methoxy-4-(methoxymethoxy)benzene
CID 160741711

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethoxy)-5-methoxybenzaldehyde?
The IUPAC name of 2-(2-chloroethoxy)-5-methoxybenzaldehyde (CID 3828469) is 2-(2-chloroethoxy)-5-methoxybenzaldehyde.
What is the SMILES notation for 2-(2-chloroethoxy)-5-methoxybenzaldehyde?
The canonical SMILES for 2-(2-chloroethoxy)-5-methoxybenzaldehyde is COc1ccc(OCCCl)c(C=O)c1.
What is the InChIKey of 2-(2-chloroethoxy)-5-methoxybenzaldehyde?
The InChIKey is GJYXTWHAKVEJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO3/c1-13-9-2-3-10(14-5-4-11)8(6-9)7-12/h2-3,6-7H,4-5H2,1H3.
What are the key properties of 2-(2-chloroethoxy)-5-methoxybenzaldehyde?
2-(2-chloroethoxy)-5-methoxybenzaldehyde has a molecular weight of 214.65 g/mol, XLogP of 2.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethoxy)-5-methoxybenzaldehyde is sourced from PubChem (CID 3828469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).