2-chloro-4-[2-(hydroxymethyl)phenoxy]benzaldehyde

C14H11ClO3 — CID 114064189

IUPAC2-chloro-4-[2-(hydroxymethyl)phenoxy]benzaldehyde
SMILESO=Cc1ccc(Oc2ccccc2CO)cc1Cl
InChIInChI=1S/C14H11ClO3/c15-13-7-12(6-5-10(13)8-16)18-14-4-2-1-3-11(14)9-17/h1-8,17H,9H2
InChIKeyBDDHHYXGIOEMTQ-UHFFFAOYSA-N
MW262.69 g/mol
LogP3.44
Rot. Bonds4

About 2-chloro-4-[2-(hydroxymethyl)phenoxy]benzaldehyde

2-chloro-4-[2-(hydroxymethyl)phenoxy]benzaldehyde (PubChem CID 114064189) has the molecular formula C14H11ClO3 and a molecular weight of 262.69 g/mol. Its IUPAC name is 2-chloro-4-[2-(hydroxymethyl)phenoxy]benzaldehyde.

Molecular Properties

Compound Name2-chloro-4-[2-(hydroxymethyl)phenoxy]benzaldehyde
PubChem CID114064189
Molecular FormulaC14H11ClO3
Molecular Weight262.69 g/mol
Exact Mass262.04
IUPAC Name2-chloro-4-[2-(hydroxymethyl)phenoxy]benzaldehyde
SMILESO=Cc1ccc(Oc2ccccc2CO)cc1Cl
InChIInChI=1S/C14H11ClO3/c15-13-7-12(6-5-10(13)8-16)18-14-4-2-1-3-11(14)9-17/h1-8,17H,9H2
InChIKeyBDDHHYXGIOEMTQ-UHFFFAOYSA-N
XLogP3.44
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.69
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(hydroxymethyl)-4-[2-(hydroxymethyl)phenoxy]phenolate
CID 102341348
2-chloro-4-(3,4-dichlorophenoxy)benzaldehyde
CID 114064183
[4-[2-(hydroxymethyl)phenoxy]-2-methylphenyl]methanol
CID 63653809
4-[(2-bromophenyl)methoxy]-2-chlorobenzaldehyde
CID 121004514
2-chloro-4-(4-ethylphenoxy)benzaldehyde
CID 114064170
[2-bromo-4-(2-chlorophenoxy)phenyl]methanol
CID 114060389
[2-(3-bromo-4-fluorophenoxy)phenyl]methanol
CID 83235131
4-(2-bromo-4-methylphenoxy)-2-chlorobenzaldehyde
CID 114064174
N-[[2-(3,4-dichlorophenoxy)phenyl]methyl]ethanamine;hydrochloride
CID 126796280
(2-chloro-3-phenoxyphenyl)methanol
CID 157201139
[2-(3,4-dichlorophenoxy)phenyl]methanamine;hydrochloride
CID 19926666
4-[2-(hydroxymethyl)phenoxy]benzamide
CID 28946171

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[2-(hydroxymethyl)phenoxy]benzaldehyde?
The IUPAC name of 2-chloro-4-[2-(hydroxymethyl)phenoxy]benzaldehyde (CID 114064189) is 2-chloro-4-[2-(hydroxymethyl)phenoxy]benzaldehyde.
What is the SMILES notation for 2-chloro-4-[2-(hydroxymethyl)phenoxy]benzaldehyde?
The canonical SMILES for 2-chloro-4-[2-(hydroxymethyl)phenoxy]benzaldehyde is O=Cc1ccc(Oc2ccccc2CO)cc1Cl.
What is the InChIKey of 2-chloro-4-[2-(hydroxymethyl)phenoxy]benzaldehyde?
The InChIKey is BDDHHYXGIOEMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClO3/c15-13-7-12(6-5-10(13)8-16)18-14-4-2-1-3-11(14)9-17/h1-8,17H,9H2.
What are the key properties of 2-chloro-4-[2-(hydroxymethyl)phenoxy]benzaldehyde?
2-chloro-4-[2-(hydroxymethyl)phenoxy]benzaldehyde has a molecular weight of 262.69 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[2-(hydroxymethyl)phenoxy]benzaldehyde is sourced from PubChem (CID 114064189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).