methyl 3-(3-fluoro-5-hydroxyphenyl)-2-phenylmethoxycarbonyliminopropanoate

C18H16FNO5 — CID 123382720

IUPACmethyl 3-(3-fluoro-5-hydroxyphenyl)-2-phenylmethoxycarbonyliminopropanoate
SMILESCOC(=O)C(Cc1cc(O)cc(F)c1)=NC(=O)OCc1ccccc1
InChIInChI=1S/C18H16FNO5/c1-24-17(22)16(9-13-7-14(19)10-15(21)8-13)20-18(23)25-11-12-5-3-2-4-6-12/h2-8,10,21H,9,11H2,1H3
InChIKeyHGHVQUZEZJPMKR-UHFFFAOYSA-N
MW345.33 g/mol
LogP3.02
Rot. Bonds5

About methyl 3-(3-fluoro-5-hydroxyphenyl)-2-phenylmethoxycarbonyliminopropanoate

methyl 3-(3-fluoro-5-hydroxyphenyl)-2-phenylmethoxycarbonyliminopropanoate (PubChem CID 123382720) has the molecular formula C18H16FNO5 and a molecular weight of 345.33 g/mol. Its IUPAC name is methyl 3-(3-fluoro-5-hydroxyphenyl)-2-phenylmethoxycarbonyliminopropanoate.

Molecular Properties

Compound Namemethyl 3-(3-fluoro-5-hydroxyphenyl)-2-phenylmethoxycarbonyliminopropanoate
PubChem CID123382720
Molecular FormulaC18H16FNO5
Molecular Weight345.33 g/mol
Exact Mass345.10
IUPAC Namemethyl 3-(3-fluoro-5-hydroxyphenyl)-2-phenylmethoxycarbonyliminopropanoate
SMILESCOC(=O)C(Cc1cc(O)cc(F)c1)=NC(=O)OCc1ccccc1
InChIInChI=1S/C18H16FNO5/c1-24-17(22)16(9-13-7-14(19)10-15(21)8-13)20-18(23)25-11-12-5-3-2-4-6-12/h2-8,10,21H,9,11H2,1H3
InChIKeyHGHVQUZEZJPMKR-UHFFFAOYSA-N
XLogP3.02
TPSA85.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.33
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze methyl 3-(3-fluoro-5-hydroxyphenyl)-2-phenylmethoxycarbonyliminopropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4Z)-4-[4-[(E)-1-(4-fluoro-3-methoxyphenyl)ethylideneamino]oxybutoxyimino]-4-phenylbutanoic acid
CID 46229903
Methyl 3-(2-fluoroethoxyimino)-4-(4-hydroxyphenyl)butanoate
CID 87893046
Methyl 3-[(4-fluorophenyl)methoxyimino]-2-[(4-hydroxyphenyl)methyl]butanoate
CID 88000990
Methyl 3-[(3-fluorophenyl)methoxyimino]-2-[(4-hydroxyphenyl)methyl]butanoate
CID 88001258
Methyl 3-[(4-fluorophenyl)methoxyimino]-2-[(3-hydroxyphenyl)methyl]butanoate
CID 88001921
(3E)-3-[(4-fluorophenyl)methoxyimino]-2-[(3-hydroxyphenyl)methyl]butanoic acid
CID 88001972
Methyl 3-[(2,4-difluorophenyl)methoxyimino]-2-[(4-hydroxyphenyl)methyl]butanoate
CID 88006445
Methyl 3-(2,6-difluorophenyl)-2-phenylmethoxycarbonyliminopropanoate
CID 90796668
Methyl 3-(3,5-difluorophenyl)-2-phenylmethoxycarbonyliminopropanoate
CID 91330017
Methyl 3-(4-fluorophenyl)-2-phenylmethoxycarbonyliminopropanoate
CID 91342176
Methyl 3-(2-fluorophenyl)-2-phenylmethoxycarbonyliminopropanoate
CID 91538587
Methyl 3-(2,5-difluorophenyl)-2-phenylmethoxycarbonyliminopropanoate
CID 91539795

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-fluoro-5-hydroxyphenyl)-2-phenylmethoxycarbonyliminopropanoate?
The IUPAC name of methyl 3-(3-fluoro-5-hydroxyphenyl)-2-phenylmethoxycarbonyliminopropanoate (CID 123382720) is methyl 3-(3-fluoro-5-hydroxyphenyl)-2-phenylmethoxycarbonyliminopropanoate.
What is the SMILES notation for methyl 3-(3-fluoro-5-hydroxyphenyl)-2-phenylmethoxycarbonyliminopropanoate?
The canonical SMILES for methyl 3-(3-fluoro-5-hydroxyphenyl)-2-phenylmethoxycarbonyliminopropanoate is COC(=O)C(Cc1cc(O)cc(F)c1)=NC(=O)OCc1ccccc1.
What is the InChIKey of methyl 3-(3-fluoro-5-hydroxyphenyl)-2-phenylmethoxycarbonyliminopropanoate?
The InChIKey is HGHVQUZEZJPMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO5/c1-24-17(22)16(9-13-7-14(19)10-15(21)8-13)20-18(23)25-11-12-5-3-2-4-6-12/h2-8,10,21H,9,11H2,1H3.
What are the key properties of methyl 3-(3-fluoro-5-hydroxyphenyl)-2-phenylmethoxycarbonyliminopropanoate?
methyl 3-(3-fluoro-5-hydroxyphenyl)-2-phenylmethoxycarbonyliminopropanoate has a molecular weight of 345.33 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-fluoro-5-hydroxyphenyl)-2-phenylmethoxycarbonyliminopropanoate is sourced from PubChem (CID 123382720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).