2-chloro-4-phenylmethoxybenzaldehyde

C14H11ClO2 — CID 14034077

IUPAC2-chloro-4-phenylmethoxybenzaldehyde
SMILESO=Cc1ccc(OCc2ccccc2)cc1Cl
InChIInChI=1S/C14H11ClO2/c15-14-8-13(7-6-12(14)9-16)17-10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKeyNYDXXBPGGPYUDR-UHFFFAOYSA-N
MW246.69 g/mol
LogP3.73
Rot. Bonds4

About 2-chloro-4-phenylmethoxybenzaldehyde

2-chloro-4-phenylmethoxybenzaldehyde (PubChem CID 14034077) has the molecular formula C14H11ClO2 and a molecular weight of 246.69 g/mol. Its IUPAC name is 2-chloro-4-phenylmethoxybenzaldehyde.

Molecular Properties

Compound Name2-chloro-4-phenylmethoxybenzaldehyde
PubChem CID14034077
Molecular FormulaC14H11ClO2
Molecular Weight246.69 g/mol
Exact Mass246.04
IUPAC Name2-chloro-4-phenylmethoxybenzaldehyde
SMILESO=Cc1ccc(OCc2ccccc2)cc1Cl
InChIInChI=1S/C14H11ClO2/c15-14-8-13(7-6-12(14)9-16)17-10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKeyNYDXXBPGGPYUDR-UHFFFAOYSA-N
XLogP3.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.69
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-phenylmethoxybenzaldehyde?
The IUPAC name of 2-chloro-4-phenylmethoxybenzaldehyde (CID 14034077) is 2-chloro-4-phenylmethoxybenzaldehyde.
What is the SMILES notation for 2-chloro-4-phenylmethoxybenzaldehyde?
The canonical SMILES for 2-chloro-4-phenylmethoxybenzaldehyde is O=Cc1ccc(OCc2ccccc2)cc1Cl.
What is the InChIKey of 2-chloro-4-phenylmethoxybenzaldehyde?
The InChIKey is NYDXXBPGGPYUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClO2/c15-14-8-13(7-6-12(14)9-16)17-10-11-4-2-1-3-5-11/h1-9H,10H2.
What are the key properties of 2-chloro-4-phenylmethoxybenzaldehyde?
2-chloro-4-phenylmethoxybenzaldehyde has a molecular weight of 246.69 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-phenylmethoxybenzaldehyde is sourced from PubChem (CID 14034077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).