4-[(2-chloro-5-fluorophenyl)methoxy]-3,5-dimethylbenzaldehyde

C16H14ClFO2 — CID 102616192

IUPAC4-[(2-chloro-5-fluorophenyl)methoxy]-3,5-dimethylbenzaldehyde
SMILESCc1cc(C=O)cc(C)c1OCc1cc(F)ccc1Cl
InChIInChI=1S/C16H14ClFO2/c1-10-5-12(8-19)6-11(2)16(10)20-9-13-7-14(18)3-4-15(13)17/h3-8H,9H2,1-2H3
InChIKeyCVKCIOPBWBXVMZ-UHFFFAOYSA-N
MW292.74 g/mol
LogP4.49
Rot. Bonds4

About 4-[(2-chloro-5-fluorophenyl)methoxy]-3,5-dimethylbenzaldehyde

4-[(2-chloro-5-fluorophenyl)methoxy]-3,5-dimethylbenzaldehyde (PubChem CID 102616192) has the molecular formula C16H14ClFO2 and a molecular weight of 292.74 g/mol. Its IUPAC name is 4-[(2-chloro-5-fluorophenyl)methoxy]-3,5-dimethylbenzaldehyde.

Molecular Properties

Compound Name4-[(2-chloro-5-fluorophenyl)methoxy]-3,5-dimethylbenzaldehyde
PubChem CID102616192
Molecular FormulaC16H14ClFO2
Molecular Weight292.74 g/mol
Exact Mass292.07
IUPAC Name4-[(2-chloro-5-fluorophenyl)methoxy]-3,5-dimethylbenzaldehyde
SMILESCc1cc(C=O)cc(C)c1OCc1cc(F)ccc1Cl
InChIInChI=1S/C16H14ClFO2/c1-10-5-12(8-19)6-11(2)16(10)20-9-13-7-14(18)3-4-15(13)17/h3-8H,9H2,1-2H3
InChIKeyCVKCIOPBWBXVMZ-UHFFFAOYSA-N
XLogP4.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.74
LogP ≤ 54.49
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

5-bromo-2-[(2-chloro-5-fluorophenyl)methoxy]-3-methylaniline
CID 102615064
5-bromo-2-[(2-chloro-5-fluorophenyl)methoxy]-3-methylbenzoic acid
CID 102616221
3-bromo-4-[(2-chloro-4-fluorophenyl)methoxy]-5-methoxybenzaldehyde
CID 43622437
[2-[(2-chloro-5-fluorophenyl)methoxy]-5-fluoro-3-(hydroxymethyl)phenyl]methanol
CID 99823533
3-bromo-4-[(2-chloro-4-fluorophenyl)methoxy]-5-ethoxybenzaldehyde
CID 66528859
4-[(2-chlorophenyl)methoxy]-3,5-dimethoxybenzaldehyde
CID 580684
[4-[(2-chloro-5-fluorophenyl)methoxy]-3,5-difluorophenyl]methanamine
CID 102615256
2-fluoro-3-[(4-formyl-2,6-dimethylphenoxy)methyl]benzonitrile
CID 107116256
4-chloro-3-[(2,6-dimethylphenoxy)methyl]aniline
CID 43350124
1-chloro-2-[(4-ethylphenoxy)methyl]-4-fluorobenzene
CID 102620565
3-chloro-2-[(2-chloro-5-fluorophenyl)methoxy]benzoic acid
CID 102616219
3-chloro-2-[(2,5-difluorophenyl)methoxy]benzaldehyde
CID 112611434

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-5-fluorophenyl)methoxy]-3,5-dimethylbenzaldehyde?
The IUPAC name of 4-[(2-chloro-5-fluorophenyl)methoxy]-3,5-dimethylbenzaldehyde (CID 102616192) is 4-[(2-chloro-5-fluorophenyl)methoxy]-3,5-dimethylbenzaldehyde.
What is the SMILES notation for 4-[(2-chloro-5-fluorophenyl)methoxy]-3,5-dimethylbenzaldehyde?
The canonical SMILES for 4-[(2-chloro-5-fluorophenyl)methoxy]-3,5-dimethylbenzaldehyde is Cc1cc(C=O)cc(C)c1OCc1cc(F)ccc1Cl.
What is the InChIKey of 4-[(2-chloro-5-fluorophenyl)methoxy]-3,5-dimethylbenzaldehyde?
The InChIKey is CVKCIOPBWBXVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFO2/c1-10-5-12(8-19)6-11(2)16(10)20-9-13-7-14(18)3-4-15(13)17/h3-8H,9H2,1-2H3.
What are the key properties of 4-[(2-chloro-5-fluorophenyl)methoxy]-3,5-dimethylbenzaldehyde?
4-[(2-chloro-5-fluorophenyl)methoxy]-3,5-dimethylbenzaldehyde has a molecular weight of 292.74 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-5-fluorophenyl)methoxy]-3,5-dimethylbenzaldehyde is sourced from PubChem (CID 102616192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).