(3,5-dimethylphenyl)methyl 2,4-dimethylbenzoate

C18H20O2 — CID 583794

IUPAC(3,5-dimethylphenyl)methyl 2,4-dimethylbenzoate
SMILESCc1cc(C)cc(COC(=O)c2ccc(C)cc2C)c1
InChIInChI=1S/C18H20O2/c1-12-5-6-17(15(4)8-12)18(19)20-11-16-9-13(2)7-14(3)10-16/h5-10H,11H2,1-4H3
InChIKeyNWSZLJZNRSIAFH-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.28
Rot. Bonds3

About (3,5-dimethylphenyl)methyl 2,4-dimethylbenzoate

(3,5-dimethylphenyl)methyl 2,4-dimethylbenzoate (PubChem CID 583794) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is (3,5-dimethylphenyl)methyl 2,4-dimethylbenzoate.

Molecular Properties

Compound Name(3,5-dimethylphenyl)methyl 2,4-dimethylbenzoate
PubChem CID583794
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name(3,5-dimethylphenyl)methyl 2,4-dimethylbenzoate
SMILESCc1cc(C)cc(COC(=O)c2ccc(C)cc2C)c1
InChIInChI=1S/C18H20O2/c1-12-5-6-17(15(4)8-12)18(19)20-11-16-9-13(2)7-14(3)10-16/h5-10H,11H2,1-4H3
InChIKeyNWSZLJZNRSIAFH-UHFFFAOYSA-N
XLogP4.28
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

benzyl 2,4-dimethylbenzoate;dihydrochloride
CID 156703415
bis[(2,4-dimethylbenzoyl)oxymethyl] propanedioate
CID 69065317
3-oxopropyl 2,4-dimethylbenzoate
CID 175056992
(3,5-dimethylphenyl)methyl 2-amino-5-chlorobenzoate
CID 60644529
(3,5-dimethylphenyl)methyl 3-amino-2-chlorobenzoate
CID 115936083
(1,3-dioxoisoindol-2-yl)methyl 2,4-dimethylbenzoate
CID 7373205
(3,4-dichlorophenyl)methyl 4-amino-2-methylbenzoate
CID 63450120
benzyl 4-bromo-2-methylbenzoate
CID 22568915
(3,5-dimethylphenyl)methyl 3-amino-4-chlorobenzoate
CID 60644644
(4-fluorophenyl)methyl 2-hydroxy-4-methylbenzoate
CID 7290825
(3-methylphenyl)methyl 2-amino-3-methylbenzoate
CID 60730677
(3,5-dimethylphenyl)methyl carbonochloridate
CID 13305535

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylphenyl)methyl 2,4-dimethylbenzoate?
The IUPAC name of (3,5-dimethylphenyl)methyl 2,4-dimethylbenzoate (CID 583794) is (3,5-dimethylphenyl)methyl 2,4-dimethylbenzoate.
What is the SMILES notation for (3,5-dimethylphenyl)methyl 2,4-dimethylbenzoate?
The canonical SMILES for (3,5-dimethylphenyl)methyl 2,4-dimethylbenzoate is Cc1cc(C)cc(COC(=O)c2ccc(C)cc2C)c1.
What is the InChIKey of (3,5-dimethylphenyl)methyl 2,4-dimethylbenzoate?
The InChIKey is NWSZLJZNRSIAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-12-5-6-17(15(4)8-12)18(19)20-11-16-9-13(2)7-14(3)10-16/h5-10H,11H2,1-4H3.
What are the key properties of (3,5-dimethylphenyl)methyl 2,4-dimethylbenzoate?
(3,5-dimethylphenyl)methyl 2,4-dimethylbenzoate has a molecular weight of 268.36 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylphenyl)methyl 2,4-dimethylbenzoate is sourced from PubChem (CID 583794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).