(3-fluoro-4-methylphenyl) 4-methylbenzoate

C15H13FO2 — CID 22944687

IUPAC(3-fluoro-4-methylphenyl) 4-methylbenzoate
SMILESCc1ccc(C(=O)Oc2ccc(C)c(F)c2)cc1
InChIInChI=1S/C15H13FO2/c1-10-3-6-12(7-4-10)15(17)18-13-8-5-11(2)14(16)9-13/h3-9H,1-2H3
InChIKeyMSLYSYDSDBSMCT-UHFFFAOYSA-N
MW244.26 g/mol
LogP3.66
Rot. Bonds2

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

(3-fluoro-4-methylphenyl) 4-methylbenzoate (PubChem CID 22944687) has the molecular formula C15H13FO2 and a molecular weight of 244.26 g/mol. Its IUPAC name is (3-fluoro-4-methylphenyl) 4-methylbenzoate.

Molecular Properties

Compound Name(3-fluoro-4-methylphenyl) 4-methylbenzoate
PubChem CID22944687
Molecular FormulaC15H13FO2
Molecular Weight244.26 g/mol
Exact Mass244.09
IUPAC Name(3-fluoro-4-methylphenyl) 4-methylbenzoate
SMILESCc1ccc(C(=O)Oc2ccc(C)c(F)c2)cc1
InChIInChI=1S/C15H13FO2/c1-10-3-6-12(7-4-10)15(17)18-13-8-5-11(2)14(16)9-13/h3-9H,1-2H3
InChIKeyMSLYSYDSDBSMCT-UHFFFAOYSA-N
XLogP3.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 53.66
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

[4-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate
CID 576898
methane;[4-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate;bis((4-methylphenyl) 4-methylbenzoate)
CID 157062010
CID 59076923
CID 59076923
(3-fluoro-4-methylphenyl) 4-(4-but-3-ynylphenyl)benzoate
CID 20663238
[4-(4-methylphenyl)phenyl] 4-methylbenzoate
CID 3092081
propan-2-yl 2-fluoro-4-[4-(4-methylphenyl)benzoyl]oxybenzoate
CID 54299052
(4-methylphenyl) 3,4-difluoro-5-methylbenzoate
CID 89257657
ethane;[4-(4-methylphenoxy)carbonylphenyl] 4-(4-methylphenyl)benzoate
CID 91606388
[4-(4-fluorobenzoyl)phenyl] 4-methylbenzoate
CID 2713488
(3,4-difluorophenyl) 4-methoxybenzoate
CID 159231931
(3,4-dimethylphenyl) 4-chlorobenzoate
CID 723826
(4-cyano-3-methylphenyl) 4-methylbenzoate
CID 145215466

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methylphenyl) 4-methylbenzoate?
The IUPAC name of (3-fluoro-4-methylphenyl) 4-methylbenzoate (CID 22944687) is (3-fluoro-4-methylphenyl) 4-methylbenzoate.
What is the SMILES notation for (3-fluoro-4-methylphenyl) 4-methylbenzoate?
The canonical SMILES for (3-fluoro-4-methylphenyl) 4-methylbenzoate is Cc1ccc(C(=O)Oc2ccc(C)c(F)c2)cc1.
What is the InChIKey of (3-fluoro-4-methylphenyl) 4-methylbenzoate?
The InChIKey is MSLYSYDSDBSMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO2/c1-10-3-6-12(7-4-10)15(17)18-13-8-5-11(2)14(16)9-13/h3-9H,1-2H3.
What are the key properties of (3-fluoro-4-methylphenyl) 4-methylbenzoate?
(3-fluoro-4-methylphenyl) 4-methylbenzoate has a molecular weight of 244.26 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methylphenyl) 4-methylbenzoate is sourced from PubChem (CID 22944687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).