[4-(4-methylphenyl)phenyl] 4-methylbenzoate

C21H18O2 — CID 3092081

IUPAC[4-(4-methylphenyl)phenyl] 4-methylbenzoate
SMILESCc1ccc(C(=O)Oc2ccc(-c3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C21H18O2/c1-15-3-7-17(8-4-15)18-11-13-20(14-12-18)23-21(22)19-9-5-16(2)6-10-19/h3-14H,1-2H3
InChIKeyUTROCEUESDNDLV-UHFFFAOYSA-N
MW302.37 g/mol
LogP5.19
Rot. Bonds3

About [4-(4-methylphenyl)phenyl] 4-methylbenzoate

[4-(4-methylphenyl)phenyl] 4-methylbenzoate (PubChem CID 3092081) has the molecular formula C21H18O2 and a molecular weight of 302.37 g/mol. Its IUPAC name is [4-(4-methylphenyl)phenyl] 4-methylbenzoate.

Molecular Properties

Compound Name[4-(4-methylphenyl)phenyl] 4-methylbenzoate
PubChem CID3092081
Molecular FormulaC21H18O2
Molecular Weight302.37 g/mol
Exact Mass302.13
IUPAC Name[4-(4-methylphenyl)phenyl] 4-methylbenzoate
SMILESCc1ccc(C(=O)Oc2ccc(-c3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C21H18O2/c1-15-3-7-17(8-4-15)18-11-13-20(14-12-18)23-21(22)19-9-5-16(2)6-10-19/h3-14H,1-2H3
InChIKeyUTROCEUESDNDLV-UHFFFAOYSA-N
XLogP5.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.37
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;[4-(4-methylphenoxy)carbonylphenyl] 4-(4-methylphenyl)benzoate
CID 91606388
[4-(4-methylphenyl)phenyl] 4-[2-(4-methylphenyl)-2-oxoacetyl]benzoate
CID 162123993
[4-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate
CID 576898
methane;[4-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate;bis((4-methylphenyl) 4-methylbenzoate)
CID 157062010
[4-(4-methoxycarbonylphenoxy)carbonylphenyl] 4-(4-methylphenyl)benzoate
CID 59024973
(4-methylphenyl) 4-[4-(4-aminophenoxy)carbonylphenyl]benzoate
CID 59193574
[4-(4-methylphenyl)phenyl] 4-tert-butylbenzoate
CID 19171847
tris(4-methylphenyl) benzene-1,3,5-tricarboxylate
CID 54080093
[4-[2-[4-(4-methylbenzoyl)oxyphenyl]ethynyl]phenyl] 4-methylbenzoate
CID 170244704
methane;(4-methylphenyl) 4-chlorobenzoate
CID 158517384
ethane;[4-[(4-methylphenyl)diazenyl]phenyl] 4-methylbenzoate
CID 145376493
ethane;[4-[(4-methylphenoxy)methoxy]phenyl] 4-methylbenzoate
CID 90859529

Frequently Asked Questions

What is the IUPAC name of [4-(4-methylphenyl)phenyl] 4-methylbenzoate?
The IUPAC name of [4-(4-methylphenyl)phenyl] 4-methylbenzoate (CID 3092081) is [4-(4-methylphenyl)phenyl] 4-methylbenzoate.
What is the SMILES notation for [4-(4-methylphenyl)phenyl] 4-methylbenzoate?
The canonical SMILES for [4-(4-methylphenyl)phenyl] 4-methylbenzoate is Cc1ccc(C(=O)Oc2ccc(-c3ccc(C)cc3)cc2)cc1.
What is the InChIKey of [4-(4-methylphenyl)phenyl] 4-methylbenzoate?
The InChIKey is UTROCEUESDNDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O2/c1-15-3-7-17(8-4-15)18-11-13-20(14-12-18)23-21(22)19-9-5-16(2)6-10-19/h3-14H,1-2H3.
What are the key properties of [4-(4-methylphenyl)phenyl] 4-methylbenzoate?
[4-(4-methylphenyl)phenyl] 4-methylbenzoate has a molecular weight of 302.37 g/mol, XLogP of 5.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methylphenyl)phenyl] 4-methylbenzoate is sourced from PubChem (CID 3092081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).