5-methoxy-2-(2-methylprop-2-enoxy)benzoyl fluoride

C12H13FO3 — CID 177477124

IUPAC5-methoxy-2-(2-methylprop-2-enoxy)benzoyl fluoride
SMILESC=C(C)COc1ccc(OC)cc1C(=O)F
InChIInChI=1S/C12H13FO3/c1-8(2)7-16-11-5-4-9(15-3)6-10(11)12(13)14/h4-6H,1,7H2,2-3H3
InChIKeyGOCNASVYMNJVDL-UHFFFAOYSA-N
MW224.23 g/mol
LogP2.76
Rot. Bonds5

About 5-methoxy-2-(2-methylprop-2-enoxy)benzoyl fluoride

5-methoxy-2-(2-methylprop-2-enoxy)benzoyl fluoride (PubChem CID 177477124) has the molecular formula C12H13FO3 and a molecular weight of 224.23 g/mol. Its IUPAC name is 5-methoxy-2-(2-methylprop-2-enoxy)benzoyl fluoride.

Molecular Properties

Compound Name5-methoxy-2-(2-methylprop-2-enoxy)benzoyl fluoride
PubChem CID177477124
Molecular FormulaC12H13FO3
Molecular Weight224.23 g/mol
Exact Mass224.08
IUPAC Name5-methoxy-2-(2-methylprop-2-enoxy)benzoyl fluoride
SMILESC=C(C)COc1ccc(OC)cc1C(=O)F
InChIInChI=1S/C12H13FO3/c1-8(2)7-16-11-5-4-9(15-3)6-10(11)12(13)14/h4-6H,1,7H2,2-3H3
InChIKeyGOCNASVYMNJVDL-UHFFFAOYSA-N
XLogP2.76
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 5-ethoxy-2-(2-methylprop-2-enoxy)benzoate
CID 58566599
5-methoxy-2-(2-methylidenebutoxy)benzoic acid
CID 66047074
5-methoxy-2-(3-methylbut-3-enoxy)benzoic acid
CID 114471317
1-iodo-4-methoxy-2-(2-methylprop-2-enoxy)benzene
CID 166445394
1-[5-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]ethanone
CID 166624623
(1S)-1-[4-methoxy-2-(2-methylprop-2-enoxy)phenyl]ethanol
CID 82001096
5-bromo-2-(2-methylprop-2-enoxy)benzoic acid
CID 103604045
methyl 5-amino-2-(2-methylprop-2-enoxy)benzoate
CID 89468662
4-chloro-2-methoxy-1-(2-methylprop-2-enoxy)benzene
CID 68967130
N-[[5-methoxy-2-(2-methylprop-2-enoxy)phenyl]methyl]propan-1-amine
CID 60880606
2-(2,3-dichloroprop-2-enoxy)-5-methoxybenzoic acid
CID 79167882
N-[[4-methoxy-2-(2-methylprop-2-enoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 55148561

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(2-methylprop-2-enoxy)benzoyl fluoride?
The IUPAC name of 5-methoxy-2-(2-methylprop-2-enoxy)benzoyl fluoride (CID 177477124) is 5-methoxy-2-(2-methylprop-2-enoxy)benzoyl fluoride.
What is the SMILES notation for 5-methoxy-2-(2-methylprop-2-enoxy)benzoyl fluoride?
The canonical SMILES for 5-methoxy-2-(2-methylprop-2-enoxy)benzoyl fluoride is C=C(C)COc1ccc(OC)cc1C(=O)F.
What is the InChIKey of 5-methoxy-2-(2-methylprop-2-enoxy)benzoyl fluoride?
The InChIKey is GOCNASVYMNJVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO3/c1-8(2)7-16-11-5-4-9(15-3)6-10(11)12(13)14/h4-6H,1,7H2,2-3H3.
What are the key properties of 5-methoxy-2-(2-methylprop-2-enoxy)benzoyl fluoride?
5-methoxy-2-(2-methylprop-2-enoxy)benzoyl fluoride has a molecular weight of 224.23 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(2-methylprop-2-enoxy)benzoyl fluoride is sourced from PubChem (CID 177477124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).