(4-methylphenyl) 4-methoxy-3-methylbenzoate

C16H16O3 — CID 145312740

IUPAC(4-methylphenyl) 4-methoxy-3-methylbenzoate
SMILESCOc1ccc(C(=O)Oc2ccc(C)cc2)cc1C
InChIInChI=1S/C16H16O3/c1-11-4-7-14(8-5-11)19-16(17)13-6-9-15(18-3)12(2)10-13/h4-10H,1-3H3
InChIKeyCXENFDVBQUAKFW-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.53
Rot. Bonds3

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

(4-methylphenyl) 4-methoxy-3-methylbenzoate (PubChem CID 145312740) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is (4-methylphenyl) 4-methoxy-3-methylbenzoate.

Molecular Properties

Compound Name(4-methylphenyl) 4-methoxy-3-methylbenzoate
PubChem CID145312740
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name(4-methylphenyl) 4-methoxy-3-methylbenzoate
SMILESCOc1ccc(C(=O)Oc2ccc(C)cc2)cc1C
InChIInChI=1S/C16H16O3/c1-11-4-7-14(8-5-11)19-16(17)13-6-9-15(18-3)12(2)10-13/h4-10H,1-3H3
InChIKeyCXENFDVBQUAKFW-UHFFFAOYSA-N
XLogP3.53
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-[6-(4-methoxy-3-methylphenoxy)hexoxy]phenyl] 4-methylbenzoate
CID 144956520
[3-methoxy-4-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate
CID 118547379
[4-(2,4-dimethylphenoxy)carbonylphenyl] 4-methoxybenzoate;sulfane
CID 144914302
(4-methoxy-3-methylphenyl) 4-formyloxybenzoate
CID 145128085
[4-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate
CID 576898
[4-(4-acetyloxy-2-methylphenoxy)carbonylphenyl] 4-methylbenzoate
CID 58960600
(3,4-dimethylphenyl)-(4-methoxy-3-methylphenyl)methanone;(4-methoxyphenyl)-(4-methylphenyl)methanone
CID 162090190
(3,4-dimethylphenyl) 3,4-dimethoxybenzoate
CID 723808
(4-methoxy-3-methylphenyl) 4-ethylbenzoate
CID 145123252
[4-(4-methoxybenzoyl)oxyphenyl] 3,4-dimethoxybenzoate
CID 144750223
methane;[4-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate;bis((4-methylphenyl) 4-methylbenzoate)
CID 157062010
tris(4-methylphenyl) benzene-1,3,5-tricarboxylate
CID 54080093

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl) 4-methoxy-3-methylbenzoate?
The IUPAC name of (4-methylphenyl) 4-methoxy-3-methylbenzoate (CID 145312740) is (4-methylphenyl) 4-methoxy-3-methylbenzoate.
What is the SMILES notation for (4-methylphenyl) 4-methoxy-3-methylbenzoate?
The canonical SMILES for (4-methylphenyl) 4-methoxy-3-methylbenzoate is COc1ccc(C(=O)Oc2ccc(C)cc2)cc1C.
What is the InChIKey of (4-methylphenyl) 4-methoxy-3-methylbenzoate?
The InChIKey is CXENFDVBQUAKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-11-4-7-14(8-5-11)19-16(17)13-6-9-15(18-3)12(2)10-13/h4-10H,1-3H3.
What are the key properties of (4-methylphenyl) 4-methoxy-3-methylbenzoate?
(4-methylphenyl) 4-methoxy-3-methylbenzoate has a molecular weight of 256.30 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl) 4-methoxy-3-methylbenzoate is sourced from PubChem (CID 145312740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).