5-fluoro-2-(3-hydroxyprop-1-enyl)benzaldehyde

C10H9FO2 — CID 169453203

IUPAC5-fluoro-2-(3-hydroxyprop-1-enyl)benzaldehyde
SMILESO=Cc1cc(F)ccc1C=CCO
InChIInChI=1S/C10H9FO2/c11-10-4-3-8(2-1-5-12)9(6-10)7-13/h1-4,6-7,12H,5H2
InChIKeyBUQJAQGHSWILID-UHFFFAOYSA-N
MW180.18 g/mol
LogP1.64
Rot. Bonds3

About 5-fluoro-2-(3-hydroxyprop-1-enyl)benzaldehyde

5-fluoro-2-(3-hydroxyprop-1-enyl)benzaldehyde (PubChem CID 169453203) has the molecular formula C10H9FO2 and a molecular weight of 180.18 g/mol. Its IUPAC name is 5-fluoro-2-(3-hydroxyprop-1-enyl)benzaldehyde.

Molecular Properties

Compound Name5-fluoro-2-(3-hydroxyprop-1-enyl)benzaldehyde
PubChem CID169453203
Molecular FormulaC10H9FO2
Molecular Weight180.18 g/mol
Exact Mass180.06
IUPAC Name5-fluoro-2-(3-hydroxyprop-1-enyl)benzaldehyde
SMILESO=Cc1cc(F)ccc1C=CCO
InChIInChI=1S/C10H9FO2/c11-10-4-3-8(2-1-5-12)9(6-10)7-13/h1-4,6-7,12H,5H2
InChIKeyBUQJAQGHSWILID-UHFFFAOYSA-N
XLogP1.64
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 ≤ 51.64
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

5-fluoro-2-(3-sulfanylprop-1-enyl)benzaldehyde
CID 169455019
3-(4-fluoro-2-formylphenyl)prop-2-enoic acid
CID 169460407
4-fluoro-2-(3-hydroxyprop-1-enyl)benzamide
CID 169453706
3-(4-fluoro-2-methoxyphenyl)prop-2-en-1-ol
CID 67414979
(E)-3-(5-fluoro-2-prop-2-enylphenyl)prop-2-en-1-ol
CID 121012780
4-(5-fluoro-2-formylphenyl)but-3-enenitrile
CID 170799544
3-(5-fluoro-2-formylphenyl)prop-2-enoic acid
CID 169460406
4-(3-hydroxyprop-1-enyl)-2-methylbenzaldehyde
CID 169453244
5-fluoro-2-(2-hydroxyethylsulfanyl)benzaldehyde
CID 63802715
4-fluoro-2-(3-hydroxyprop-1-ynyl)benzaldehyde
CID 124707662
9H-fluoren-9-ylmethyl N-[4-(4-fluoro-2-formylphenyl)but-3-enyl]carbamate
CID 170492113
3-(4-amino-2-fluorophenyl)prop-2-en-1-ol
CID 169453035

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(3-hydroxyprop-1-enyl)benzaldehyde?
The IUPAC name of 5-fluoro-2-(3-hydroxyprop-1-enyl)benzaldehyde (CID 169453203) is 5-fluoro-2-(3-hydroxyprop-1-enyl)benzaldehyde.
What is the SMILES notation for 5-fluoro-2-(3-hydroxyprop-1-enyl)benzaldehyde?
The canonical SMILES for 5-fluoro-2-(3-hydroxyprop-1-enyl)benzaldehyde is O=Cc1cc(F)ccc1C=CCO.
What is the InChIKey of 5-fluoro-2-(3-hydroxyprop-1-enyl)benzaldehyde?
The InChIKey is BUQJAQGHSWILID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FO2/c11-10-4-3-8(2-1-5-12)9(6-10)7-13/h1-4,6-7,12H,5H2.
What are the key properties of 5-fluoro-2-(3-hydroxyprop-1-enyl)benzaldehyde?
5-fluoro-2-(3-hydroxyprop-1-enyl)benzaldehyde has a molecular weight of 180.18 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(3-hydroxyprop-1-enyl)benzaldehyde is sourced from PubChem (CID 169453203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).