(3-amino-4-methoxyphenyl) benzoate

C14H13NO3 — CID 59041635

IUPAC(3-amino-4-methoxyphenyl) benzoate
SMILESCOc1ccc(OC(=O)c2ccccc2)cc1N
InChIInChI=1S/C14H13NO3/c1-17-13-8-7-11(9-12(13)15)18-14(16)10-5-3-2-4-6-10/h2-9H,15H2,1H3
InChIKeyZMAZCHYELDCYLQ-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.50
Rot. Bonds3

About (3-amino-4-methoxyphenyl) benzoate

(3-amino-4-methoxyphenyl) benzoate (PubChem CID 59041635) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is (3-amino-4-methoxyphenyl) benzoate.

Molecular Properties

Compound Name(3-amino-4-methoxyphenyl) benzoate
PubChem CID59041635
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name(3-amino-4-methoxyphenyl) benzoate
SMILESCOc1ccc(OC(=O)c2ccccc2)cc1N
InChIInChI=1S/C14H13NO3/c1-17-13-8-7-11(9-12(13)15)18-14(16)10-5-3-2-4-6-10/h2-9H,15H2,1H3
InChIKeyZMAZCHYELDCYLQ-UHFFFAOYSA-N
XLogP2.50
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-benzoyloxy-3-bromophenyl) benzoate
CID 1103889
(2-benzoyl-4,5-dimethoxyphenyl) benzoate
CID 141249986
2-methoxy-5-propan-2-yloxyaniline
CID 10081024
(3,4-dimethoxy-5-methylphenyl) benzoate
CID 71511932
naphthalen-2-yl 4-methoxybenzoate
CID 532400
ethane;methane;(3-methoxyphenyl) benzoate;propan-2-one
CID 159464781
[3-methoxy-4-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate
CID 118547379
(4-benzoyloxy-2-methylphenyl) 4-hydroxybenzoate
CID 89390989
(4-benzoylphenyl) 3,4,5-trimethoxybenzoate
CID 2678942
[4-(4-methoxybenzoyl)oxyphenyl] 3,4-dimethoxybenzoate
CID 144750223
(3-benzoyloxy-4-chlorophenyl) benzoate
CID 102086549
(12,19-dibenzoyloxy-6,13,20-trimethoxy-5-tetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaenyl) benzoate
CID 100914359

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-methoxyphenyl) benzoate?
The IUPAC name of (3-amino-4-methoxyphenyl) benzoate (CID 59041635) is (3-amino-4-methoxyphenyl) benzoate.
What is the SMILES notation for (3-amino-4-methoxyphenyl) benzoate?
The canonical SMILES for (3-amino-4-methoxyphenyl) benzoate is COc1ccc(OC(=O)c2ccccc2)cc1N.
What is the InChIKey of (3-amino-4-methoxyphenyl) benzoate?
The InChIKey is ZMAZCHYELDCYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-17-13-8-7-11(9-12(13)15)18-14(16)10-5-3-2-4-6-10/h2-9H,15H2,1H3.
What are the key properties of (3-amino-4-methoxyphenyl) benzoate?
(3-amino-4-methoxyphenyl) benzoate has a molecular weight of 243.26 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-methoxyphenyl) benzoate is sourced from PubChem (CID 59041635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).