(4-methoxy-3-methylphenyl) 4-formyloxybenzoate

C16H14O5 — CID 145128085

IUPAC(4-methoxy-3-methylphenyl) 4-formyloxybenzoate
SMILESCOc1ccc(OC(=O)c2ccc(OC=O)cc2)cc1C
InChIInChI=1S/C16H14O5/c1-11-9-14(7-8-15(11)19-2)21-16(18)12-3-5-13(6-4-12)20-10-17/h3-10H,1-2H3
InChIKeyHNAJYUUCKZCGDE-UHFFFAOYSA-N
MW286.28 g/mol
LogP2.76
Rot. Bonds5

About (4-methoxy-3-methylphenyl) 4-formyloxybenzoate

(4-methoxy-3-methylphenyl) 4-formyloxybenzoate (PubChem CID 145128085) has the molecular formula C16H14O5 and a molecular weight of 286.28 g/mol. Its IUPAC name is (4-methoxy-3-methylphenyl) 4-formyloxybenzoate.

Molecular Properties

Compound Name(4-methoxy-3-methylphenyl) 4-formyloxybenzoate
PubChem CID145128085
Molecular FormulaC16H14O5
Molecular Weight286.28 g/mol
Exact Mass286.08
IUPAC Name(4-methoxy-3-methylphenyl) 4-formyloxybenzoate
SMILESCOc1ccc(OC(=O)c2ccc(OC=O)cc2)cc1C
InChIInChI=1S/C16H14O5/c1-11-9-14(7-8-15(11)19-2)21-16(18)12-3-5-13(6-4-12)20-10-17/h3-10H,1-2H3
InChIKeyHNAJYUUCKZCGDE-UHFFFAOYSA-N
XLogP2.76
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4-methoxy-3-methylphenyl) 4-ethylbenzoate
CID 145123252
(4-methylphenyl) 4-methoxy-3-methylbenzoate
CID 145312740
(3,4-dimethylphenyl) 4-methoxybenzoate
CID 4928836
(3,4-dimethylphenyl) 3,4-dimethoxybenzoate
CID 723808
[4-[(4-methoxyphenoxy)methoxy]-3-methylphenyl] 4-methoxybenzoate
CID 89477375
[3-methoxy-4-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate
CID 118547379
[4-[6-(4-methoxy-3-methylphenoxy)hexoxy]phenyl] 4-methylbenzoate
CID 144956520
phenyl 4-formyloxybenzoate
CID 118686744
2-(4-methoxy-3-methylphenyl)-2-oxoacetaldehyde
CID 83529774
4-formyloxy-3-methylbenzoic acid
CID 88552813
(6-formyloxy-3-methylnaphthalen-2-yl) 4-methylbenzoate;1,4-xylene
CID 144724323
[4-(4-hydroxybenzoyl)oxy-2-methylphenyl] 4-methylbenzoate
CID 54342277

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-3-methylphenyl) 4-formyloxybenzoate?
The IUPAC name of (4-methoxy-3-methylphenyl) 4-formyloxybenzoate (CID 145128085) is (4-methoxy-3-methylphenyl) 4-formyloxybenzoate.
What is the SMILES notation for (4-methoxy-3-methylphenyl) 4-formyloxybenzoate?
The canonical SMILES for (4-methoxy-3-methylphenyl) 4-formyloxybenzoate is COc1ccc(OC(=O)c2ccc(OC=O)cc2)cc1C.
What is the InChIKey of (4-methoxy-3-methylphenyl) 4-formyloxybenzoate?
The InChIKey is HNAJYUUCKZCGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O5/c1-11-9-14(7-8-15(11)19-2)21-16(18)12-3-5-13(6-4-12)20-10-17/h3-10H,1-2H3.
What are the key properties of (4-methoxy-3-methylphenyl) 4-formyloxybenzoate?
(4-methoxy-3-methylphenyl) 4-formyloxybenzoate has a molecular weight of 286.28 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-3-methylphenyl) 4-formyloxybenzoate is sourced from PubChem (CID 145128085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).