3-(2-fluoro-6-methoxyphenyl)prop-2-enoic acid

C10H9FO3 — CID 53401642

IUPAC3-(2-fluoro-6-methoxyphenyl)prop-2-enoic acid
SMILESCOc1cccc(F)c1C=CC(=O)O
InChIInChI=1S/C10H9FO3/c1-14-9-4-2-3-8(11)7(9)5-6-10(12)13/h2-6H,1H3,(H,12,13)
InChIKeyYUVNOPHHSLSHKS-UHFFFAOYSA-N
MW196.18 g/mol
LogP1.93
Rot. Bonds3

About 3-(2-fluoro-6-methoxyphenyl)prop-2-enoic acid

3-(2-fluoro-6-methoxyphenyl)prop-2-enoic acid (PubChem CID 53401642) has the molecular formula C10H9FO3 and a molecular weight of 196.18 g/mol. Its IUPAC name is 3-(2-fluoro-6-methoxyphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name3-(2-fluoro-6-methoxyphenyl)prop-2-enoic acid
PubChem CID53401642
Molecular FormulaC10H9FO3
Molecular Weight196.18 g/mol
Exact Mass196.05
IUPAC Name3-(2-fluoro-6-methoxyphenyl)prop-2-enoic acid
SMILESCOc1cccc(F)c1C=CC(=O)O
InChIInChI=1S/C10H9FO3/c1-14-9-4-2-3-8(11)7(9)5-6-10(12)13/h2-6H,1H3,(H,12,13)
InChIKeyYUVNOPHHSLSHKS-UHFFFAOYSA-N
XLogP1.93
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.18
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(1E,6E)-1,7-bis(2-fluoro-6-methoxyphenyl)hepta-1,6-diene-3,5-dione
CID 123367153
(Z)-3-(2-hydroxy-6-methoxyphenyl)prop-2-enoic acid
CID 96869545
3-(2-hydroxy-6-methoxyphenyl)prop-2-enoic acid
CID 53403961
3-[2-methoxy-6-(trifluoromethyl)phenyl]prop-2-enoic acid
CID 131869157
(E)-3-(2-fluoro-6-methoxyphenyl)-2-methylprop-2-enoic acid
CID 131474129
(E)-3-(2-fluoro-3-formyl-4-methoxyphenyl)prop-2-enoic acid
CID 171009977
(E)-3-(2,6-difluoro-4-methoxyphenyl)prop-2-enoic acid
CID 23143267
(Z)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoic acid
CID 92855049
(E)-3-(2,3-dichloro-6-methoxyphenyl)prop-2-enoic acid
CID 171009257
3-(2-fluoro-4,5-dimethoxyphenyl)prop-2-enoic acid
CID 53403843
(E)-3-(2,6-difluorophenyl)-1-(2,4-dimethoxyphenyl)prop-2-en-1-one
CID 17391329
(E)-3-(3-bromo-6-methoxy-2-methylphenyl)prop-2-enoic acid
CID 171004713

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-6-methoxyphenyl)prop-2-enoic acid?
The IUPAC name of 3-(2-fluoro-6-methoxyphenyl)prop-2-enoic acid (CID 53401642) is 3-(2-fluoro-6-methoxyphenyl)prop-2-enoic acid.
What is the SMILES notation for 3-(2-fluoro-6-methoxyphenyl)prop-2-enoic acid?
The canonical SMILES for 3-(2-fluoro-6-methoxyphenyl)prop-2-enoic acid is COc1cccc(F)c1C=CC(=O)O.
What is the InChIKey of 3-(2-fluoro-6-methoxyphenyl)prop-2-enoic acid?
The InChIKey is YUVNOPHHSLSHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FO3/c1-14-9-4-2-3-8(11)7(9)5-6-10(12)13/h2-6H,1H3,(H,12,13).
What are the key properties of 3-(2-fluoro-6-methoxyphenyl)prop-2-enoic acid?
3-(2-fluoro-6-methoxyphenyl)prop-2-enoic acid has a molecular weight of 196.18 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-6-methoxyphenyl)prop-2-enoic acid is sourced from PubChem (CID 53401642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).