2-chloro-4-ethyl-3-methyl-5-phenylmethoxybenzaldehyde

C17H17ClO2 — CID 91467417

IUPAC2-chloro-4-ethyl-3-methyl-5-phenylmethoxybenzaldehyde
SMILESCCc1c(OCc2ccccc2)cc(C=O)c(Cl)c1C
InChIInChI=1S/C17H17ClO2/c1-3-15-12(2)17(18)14(10-19)9-16(15)20-11-13-7-5-4-6-8-13/h4-10H,3,11H2,1-2H3
InChIKeyFFSOGTWBFMGARE-UHFFFAOYSA-N
MW288.77 g/mol
LogP4.60
Rot. Bonds5

About 2-chloro-4-ethyl-3-methyl-5-phenylmethoxybenzaldehyde

2-chloro-4-ethyl-3-methyl-5-phenylmethoxybenzaldehyde (PubChem CID 91467417) has the molecular formula C17H17ClO2 and a molecular weight of 288.77 g/mol. Its IUPAC name is 2-chloro-4-ethyl-3-methyl-5-phenylmethoxybenzaldehyde.

Molecular Properties

Compound Name2-chloro-4-ethyl-3-methyl-5-phenylmethoxybenzaldehyde
PubChem CID91467417
Molecular FormulaC17H17ClO2
Molecular Weight288.77 g/mol
Exact Mass288.09
IUPAC Name2-chloro-4-ethyl-3-methyl-5-phenylmethoxybenzaldehyde
SMILESCCc1c(OCc2ccccc2)cc(C=O)c(Cl)c1C
InChIInChI=1S/C17H17ClO2/c1-3-15-12(2)17(18)14(10-19)9-16(15)20-11-13-7-5-4-6-8-13/h4-10H,3,11H2,1-2H3
InChIKeyFFSOGTWBFMGARE-UHFFFAOYSA-N
XLogP4.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.77
LogP ≤ 54.60
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

2-chloro-3-methyl-4-phenylmethoxybenzaldehyde
CID 164892231
2-chloro-5-ethoxy-4-phenylmethoxybenzaldehyde
CID 890667
5-methyl-2-phenylmethoxybenzaldehyde
CID 1247883
2-methoxy-4-methyl-5-phenylmethoxybenzaldehyde
CID 71394668
ethane;5-methyl-2-phenylmethoxybenzaldehyde
CID 142857349
ethane;2-ethoxy-3-phenylmethoxybenzaldehyde
CID 143384365
2-chloro-3-ethyl-4,6-bis(phenylmethoxy)pyridine
CID 89421768
4,5-difluoro-2-phenylmethoxybenzaldehyde
CID 129164784
2-[(4-methylphenyl)methoxy]benzaldehyde
CID 693304
2-hydroxy-3-methyl-4,6-bis(phenylmethoxy)benzaldehyde
CID 141442254
2-bromo-4-ethyl-3-methyl-5-phenylmethoxypyridine
CID 90979990
3-chloro-2-ethyl-4-phenylmethoxybenzoic acid
CID 67182822

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-ethyl-3-methyl-5-phenylmethoxybenzaldehyde?
The IUPAC name of 2-chloro-4-ethyl-3-methyl-5-phenylmethoxybenzaldehyde (CID 91467417) is 2-chloro-4-ethyl-3-methyl-5-phenylmethoxybenzaldehyde.
What is the SMILES notation for 2-chloro-4-ethyl-3-methyl-5-phenylmethoxybenzaldehyde?
The canonical SMILES for 2-chloro-4-ethyl-3-methyl-5-phenylmethoxybenzaldehyde is CCc1c(OCc2ccccc2)cc(C=O)c(Cl)c1C.
What is the InChIKey of 2-chloro-4-ethyl-3-methyl-5-phenylmethoxybenzaldehyde?
The InChIKey is FFSOGTWBFMGARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClO2/c1-3-15-12(2)17(18)14(10-19)9-16(15)20-11-13-7-5-4-6-8-13/h4-10H,3,11H2,1-2H3.
What are the key properties of 2-chloro-4-ethyl-3-methyl-5-phenylmethoxybenzaldehyde?
2-chloro-4-ethyl-3-methyl-5-phenylmethoxybenzaldehyde has a molecular weight of 288.77 g/mol, XLogP of 4.60, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-ethyl-3-methyl-5-phenylmethoxybenzaldehyde is sourced from PubChem (CID 91467417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).