2-(4-chloro-3-fluorophenyl)-5-(2-methoxyethoxy)benzaldehyde

C16H14ClFO3 — CID 172653691

IUPAC2-(4-chloro-3-fluorophenyl)-5-(2-methoxyethoxy)benzaldehyde
SMILESCOCCOc1ccc(-c2ccc(Cl)c(F)c2)c(C=O)c1
InChIInChI=1S/C16H14ClFO3/c1-20-6-7-21-13-3-4-14(12(8-13)10-19)11-2-5-15(17)16(18)9-11/h2-5,8-10H,6-7H2,1H3
InChIKeyQNCXBWCXFIFLAJ-UHFFFAOYSA-N
MW308.74 g/mol
LogP3.98
Rot. Bonds6

About 2-(4-chloro-3-fluorophenyl)-5-(2-methoxyethoxy)benzaldehyde

2-(4-chloro-3-fluorophenyl)-5-(2-methoxyethoxy)benzaldehyde (PubChem CID 172653691) has the molecular formula C16H14ClFO3 and a molecular weight of 308.74 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenyl)-5-(2-methoxyethoxy)benzaldehyde.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenyl)-5-(2-methoxyethoxy)benzaldehyde
PubChem CID172653691
Molecular FormulaC16H14ClFO3
Molecular Weight308.74 g/mol
Exact Mass308.06
IUPAC Name2-(4-chloro-3-fluorophenyl)-5-(2-methoxyethoxy)benzaldehyde
SMILESCOCCOc1ccc(-c2ccc(Cl)c(F)c2)c(C=O)c1
InChIInChI=1S/C16H14ClFO3/c1-20-6-7-21-13-3-4-14(12(8-13)10-19)11-2-5-15(17)16(18)9-11/h2-5,8-10H,6-7H2,1H3
InChIKeyQNCXBWCXFIFLAJ-UHFFFAOYSA-N
XLogP3.98
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.74
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-2-fluoro-4-(3-methoxypropoxy)benzene
CID 82727335
2-(4-chloro-3-fluorophenyl)benzaldehyde
CID 18357470
2-[4-(4-chloro-3-fluorophenyl)-3-fluorophenyl]-6-propoxynaphthalene
CID 129226020
5-chloro-2-(3-fluoro-4-methylphenyl)benzaldehyde
CID 115502480
5-chloro-2-(4-methoxyphenyl)benzaldehyde
CID 66159684
2-(3-fluorophenyl)-5-methoxybenzaldehyde
CID 46314389
2-[4-(difluoromethyl)phenyl]-5-ethoxybenzaldehyde
CID 172651355
1-chloro-4-[4-[4-(2-methoxyethoxy)phenyl]phenyl]benzene
CID 71108634
2,6-difluoro-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzaldehyde
CID 118455142
2-fluoro-4-(2-methoxyethoxy)-1-methylbenzene
CID 21363868
2-fluoro-4-(4-methoxy-2-methylphenyl)benzaldehyde
CID 54910260
N-[2-(4-chloro-3-fluorophenoxy)ethyl]prop-2-yn-1-amine
CID 82727082

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenyl)-5-(2-methoxyethoxy)benzaldehyde?
The IUPAC name of 2-(4-chloro-3-fluorophenyl)-5-(2-methoxyethoxy)benzaldehyde (CID 172653691) is 2-(4-chloro-3-fluorophenyl)-5-(2-methoxyethoxy)benzaldehyde.
What is the SMILES notation for 2-(4-chloro-3-fluorophenyl)-5-(2-methoxyethoxy)benzaldehyde?
The canonical SMILES for 2-(4-chloro-3-fluorophenyl)-5-(2-methoxyethoxy)benzaldehyde is COCCOc1ccc(-c2ccc(Cl)c(F)c2)c(C=O)c1.
What is the InChIKey of 2-(4-chloro-3-fluorophenyl)-5-(2-methoxyethoxy)benzaldehyde?
The InChIKey is QNCXBWCXFIFLAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFO3/c1-20-6-7-21-13-3-4-14(12(8-13)10-19)11-2-5-15(17)16(18)9-11/h2-5,8-10H,6-7H2,1H3.
What are the key properties of 2-(4-chloro-3-fluorophenyl)-5-(2-methoxyethoxy)benzaldehyde?
2-(4-chloro-3-fluorophenyl)-5-(2-methoxyethoxy)benzaldehyde has a molecular weight of 308.74 g/mol, XLogP of 3.98, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluorophenyl)-5-(2-methoxyethoxy)benzaldehyde is sourced from PubChem (CID 172653691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).