2-(2-bromo-4-methoxyphenoxy)-5-fluorobenzaldehyde

C14H10BrFO3 — CID 104707930

IUPAC2-(2-bromo-4-methoxyphenoxy)-5-fluorobenzaldehyde
SMILESCOc1ccc(Oc2ccc(F)cc2C=O)c(Br)c1
InChIInChI=1S/C14H10BrFO3/c1-18-11-3-5-14(12(15)7-11)19-13-4-2-10(16)6-9(13)8-17/h2-8H,1H3
InChIKeyFQQSWQCQOWQMKL-UHFFFAOYSA-N
MW325.13 g/mol
LogP4.20
Rot. Bonds4

About 2-(2-bromo-4-methoxyphenoxy)-5-fluorobenzaldehyde

2-(2-bromo-4-methoxyphenoxy)-5-fluorobenzaldehyde (PubChem CID 104707930) has the molecular formula C14H10BrFO3 and a molecular weight of 325.13 g/mol. Its IUPAC name is 2-(2-bromo-4-methoxyphenoxy)-5-fluorobenzaldehyde.

Molecular Properties

Compound Name2-(2-bromo-4-methoxyphenoxy)-5-fluorobenzaldehyde
PubChem CID104707930
Molecular FormulaC14H10BrFO3
Molecular Weight325.13 g/mol
Exact Mass323.98
IUPAC Name2-(2-bromo-4-methoxyphenoxy)-5-fluorobenzaldehyde
SMILESCOc1ccc(Oc2ccc(F)cc2C=O)c(Br)c1
InChIInChI=1S/C14H10BrFO3/c1-18-11-3-5-14(12(15)7-11)19-13-4-2-10(16)6-9(13)8-17/h2-8H,1H3
InChIKeyFQQSWQCQOWQMKL-UHFFFAOYSA-N
XLogP4.20
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.13
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2,5-difluorophenoxy)-5-fluorobenzaldehyde
CID 63269304
4-(2-bromo-4-methoxyphenoxy)-2-nitrobenzaldehyde
CID 177352375
5-fluoro-2-(3-fluorophenoxy)benzaldehyde
CID 43313270
5-bromo-2-(3-methoxyphenoxy)benzaldehyde
CID 114061306
4,5-dichloro-2-(4-fluoro-2-methoxyphenoxy)benzaldehyde
CID 90314663
(2-bromo-4-fluorophenyl) 4-methoxybenzoate
CID 530779
2-(2,5-difluorophenoxy)-5-methylbenzaldehyde
CID 114054339
2-(3-chloro-2-fluorophenoxy)-5-fluorobenzaldehyde
CID 116689347
4-(2-bromo-4-fluorophenoxy)-2-methoxy-1-nitrobenzene
CID 63672086
(E)-3-[2-(2-bromo-4-methylphenoxy)-5-fluorophenyl]prop-2-enoic acid
CID 43313419
4-(18F)fluoro-2-methoxy(18F)benzaldehyde
CID 14816736
4-fluoro-2-methoxybenzaldehyde
CID 2774537

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methoxyphenoxy)-5-fluorobenzaldehyde?
The IUPAC name of 2-(2-bromo-4-methoxyphenoxy)-5-fluorobenzaldehyde (CID 104707930) is 2-(2-bromo-4-methoxyphenoxy)-5-fluorobenzaldehyde.
What is the SMILES notation for 2-(2-bromo-4-methoxyphenoxy)-5-fluorobenzaldehyde?
The canonical SMILES for 2-(2-bromo-4-methoxyphenoxy)-5-fluorobenzaldehyde is COc1ccc(Oc2ccc(F)cc2C=O)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-methoxyphenoxy)-5-fluorobenzaldehyde?
The InChIKey is FQQSWQCQOWQMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFO3/c1-18-11-3-5-14(12(15)7-11)19-13-4-2-10(16)6-9(13)8-17/h2-8H,1H3.
What are the key properties of 2-(2-bromo-4-methoxyphenoxy)-5-fluorobenzaldehyde?
2-(2-bromo-4-methoxyphenoxy)-5-fluorobenzaldehyde has a molecular weight of 325.13 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methoxyphenoxy)-5-fluorobenzaldehyde is sourced from PubChem (CID 104707930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).