4-fluoro-2-propoxybenzaldehyde

C10H11FO2 — CID 74889364

IUPAC4-fluoro-2-propoxybenzaldehyde
SMILESCCCOc1cc(F)ccc1C=O
InChIInChI=1S/C10H11FO2/c1-2-5-13-10-6-9(11)4-3-8(10)7-12/h3-4,6-7H,2,5H2,1H3
InChIKeyWKWUGQDZJYTWOD-UHFFFAOYSA-N
MW182.19 g/mol
LogP2.43
Rot. Bonds4

About 4-fluoro-2-propoxybenzaldehyde

4-fluoro-2-propoxybenzaldehyde (PubChem CID 74889364) has the molecular formula C10H11FO2 and a molecular weight of 182.19 g/mol. Its IUPAC name is 4-fluoro-2-propoxybenzaldehyde.

Molecular Properties

Compound Name4-fluoro-2-propoxybenzaldehyde
PubChem CID74889364
Molecular FormulaC10H11FO2
Molecular Weight182.19 g/mol
Exact Mass182.07
IUPAC Name4-fluoro-2-propoxybenzaldehyde
SMILESCCCOc1cc(F)ccc1C=O
InChIInChI=1S/C10H11FO2/c1-2-5-13-10-6-9(11)4-3-8(10)7-12/h3-4,6-7H,2,5H2,1H3
InChIKeyWKWUGQDZJYTWOD-UHFFFAOYSA-N
XLogP2.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.19
LogP ≤ 52.43
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

4-fluoro-2-methoxybenzaldehyde
CID 2774537
4-(18F)fluoro-2-methoxy(18F)benzaldehyde
CID 14816736
2-[(3-fluorophenyl)methoxy]-4-propoxybenzaldehyde
CID 43388336
2-fluoro-4-(3-fluoro-4-propoxyphenyl)benzaldehyde
CID 21252414
2-[2-(4-fluorophenoxy)ethoxy]-4-methoxybenzaldehyde
CID 20984228
4-fluoro-1-methoxy-2-propoxybenzene
CID 126738516
2-butoxy-4-methylbenzaldehyde
CID 162455333
2-[3-(dimethylamino)propoxy]-4-propoxybenzaldehyde
CID 114525440
4-propoxy-2-[2-(trifluoromethylsulfanyl)ethoxy]benzaldehyde
CID 116616036
2-(3-ethylsulfonylpropoxy)-4-propoxybenzaldehyde
CID 65092966
4-fluoro-2-[(2-fluorophenyl)methoxy]benzaldehyde
CID 91658405
2-(cyclobutylmethoxy)-4-propoxybenzaldehyde
CID 65459200

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-propoxybenzaldehyde?
The IUPAC name of 4-fluoro-2-propoxybenzaldehyde (CID 74889364) is 4-fluoro-2-propoxybenzaldehyde.
What is the SMILES notation for 4-fluoro-2-propoxybenzaldehyde?
The canonical SMILES for 4-fluoro-2-propoxybenzaldehyde is CCCOc1cc(F)ccc1C=O.
What is the InChIKey of 4-fluoro-2-propoxybenzaldehyde?
The InChIKey is WKWUGQDZJYTWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO2/c1-2-5-13-10-6-9(11)4-3-8(10)7-12/h3-4,6-7H,2,5H2,1H3.
What are the key properties of 4-fluoro-2-propoxybenzaldehyde?
4-fluoro-2-propoxybenzaldehyde has a molecular weight of 182.19 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-propoxybenzaldehyde is sourced from PubChem (CID 74889364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).