4-(3-fluoroprop-2-enyl)-2-hydroxybenzaldehyde

C10H9FO2 — CID 155682526

IUPAC4-(3-fluoroprop-2-enyl)-2-hydroxybenzaldehyde
SMILESO=Cc1ccc(CC=CF)cc1O
InChIInChI=1S/C10H9FO2/c11-5-1-2-8-3-4-9(7-12)10(13)6-8/h1,3-7,13H,2H2
InChIKeyYDXAJSNVYSPTDW-UHFFFAOYSA-N
MW180.18 g/mol
LogP2.23
Rot. Bonds3

About 4-(3-fluoroprop-2-enyl)-2-hydroxybenzaldehyde

4-(3-fluoroprop-2-enyl)-2-hydroxybenzaldehyde (PubChem CID 155682526) has the molecular formula C10H9FO2 and a molecular weight of 180.18 g/mol. Its IUPAC name is 4-(3-fluoroprop-2-enyl)-2-hydroxybenzaldehyde.

Molecular Properties

Compound Name4-(3-fluoroprop-2-enyl)-2-hydroxybenzaldehyde
PubChem CID155682526
Molecular FormulaC10H9FO2
Molecular Weight180.18 g/mol
Exact Mass180.06
IUPAC Name4-(3-fluoroprop-2-enyl)-2-hydroxybenzaldehyde
SMILESO=Cc1ccc(CC=CF)cc1O
InChIInChI=1S/C10H9FO2/c11-5-1-2-8-3-4-9(7-12)10(13)6-8/h1,3-7,13H,2H2
InChIKeyYDXAJSNVYSPTDW-UHFFFAOYSA-N
XLogP2.23
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.18
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(fluoromethyl)-2-hydroxybenzaldehyde
CID 88915997
4-[(E)-3-fluoroprop-2-enyl]phenol
CID 22256147
2-hydroxy-4-pentadecylbenzaldehyde
CID 3270829
(4-formyl-3-hydroxyphenyl)methyl 2-methylpropanoate
CID 154665723
4-(3,4-difluorophenyl)-2-hydroxybenzaldehyde
CID 53220375
2-hydroxy-4-(4-oxobut-1-enyl)benzaldehyde
CID 170481714
azane;4-chloro-2-hydroxybenzaldehyde;formaldehyde
CID 161490550
4-[bis(prop-2-enyl)amino]-2-hydroxybenzaldehyde
CID 88729636
2-hydroxy-4-methanethioylbenzaldehyde
CID 123184557
2-hydroxy-4-nitrosobenzaldehyde
CID 88927405
4-(4-chlorobut-1-enyl)-2-hydroxybenzaldehyde
CID 170498999
4-(diethylamino)-2-hydroxybenzaldehyde;hydrazine;hydrate
CID 159168735

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoroprop-2-enyl)-2-hydroxybenzaldehyde?
The IUPAC name of 4-(3-fluoroprop-2-enyl)-2-hydroxybenzaldehyde (CID 155682526) is 4-(3-fluoroprop-2-enyl)-2-hydroxybenzaldehyde.
What is the SMILES notation for 4-(3-fluoroprop-2-enyl)-2-hydroxybenzaldehyde?
The canonical SMILES for 4-(3-fluoroprop-2-enyl)-2-hydroxybenzaldehyde is O=Cc1ccc(CC=CF)cc1O.
What is the InChIKey of 4-(3-fluoroprop-2-enyl)-2-hydroxybenzaldehyde?
The InChIKey is YDXAJSNVYSPTDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FO2/c11-5-1-2-8-3-4-9(7-12)10(13)6-8/h1,3-7,13H,2H2.
What are the key properties of 4-(3-fluoroprop-2-enyl)-2-hydroxybenzaldehyde?
4-(3-fluoroprop-2-enyl)-2-hydroxybenzaldehyde has a molecular weight of 180.18 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoroprop-2-enyl)-2-hydroxybenzaldehyde is sourced from PubChem (CID 155682526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).