(5-methyl-2-phenylphenyl) 2,2-dimethylpropanoate

C18H20O2 — CID 135044858

IUPAC(5-methyl-2-phenylphenyl) 2,2-dimethylpropanoate
SMILESCc1ccc(-c2ccccc2)c(OC(=O)C(C)(C)C)c1
InChIInChI=1S/C18H20O2/c1-13-10-11-15(14-8-6-5-7-9-14)16(12-13)20-17(19)18(2,3)4/h5-12H,1-4H3
InChIKeyPWLRGMHOHYAISP-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.61
Rot. Bonds2

About (5-methyl-2-phenylphenyl) 2,2-dimethylpropanoate

(5-methyl-2-phenylphenyl) 2,2-dimethylpropanoate (PubChem CID 135044858) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is (5-methyl-2-phenylphenyl) 2,2-dimethylpropanoate.

Molecular Properties

Compound Name(5-methyl-2-phenylphenyl) 2,2-dimethylpropanoate
PubChem CID135044858
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name(5-methyl-2-phenylphenyl) 2,2-dimethylpropanoate
SMILESCc1ccc(-c2ccccc2)c(OC(=O)C(C)(C)C)c1
InChIInChI=1S/C18H20O2/c1-13-10-11-15(14-8-6-5-7-9-14)16(12-13)20-17(19)18(2,3)4/h5-12H,1-4H3
InChIKeyPWLRGMHOHYAISP-UHFFFAOYSA-N
XLogP4.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.61
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-methyl-2-phenylphenyl) hydrogen carbonate
CID 22141660
(4-methyl-2-phenylphenyl) carbamate
CID 68986573
methyl 2,2-dimethyl-3-(2-phenylphenoxy)propanoate
CID 79620429
[4-(4-methylphenyl)phenyl] 2,2-dimethylpropanoate
CID 19166233
[2-(2,2-dimethylpropanoyloxy)phenyl] benzoate
CID 2320209
(2-phenylphenyl)methyl 2,2-dimethylpropanoate
CID 143507631
3-benzoyloxy-4-phenylbenzoic acid
CID 19859975
2,6-bis(2,2-dimethylpropanoyloxy)benzoic acid
CID 67574318
3-(2,2-dimethylpropanoyloxy)-4-methylbenzoic acid
CID 174180006
[2-(2-oxopropyl)phenyl] 2,2-dimethylpropanoate
CID 13066161
ethyl 2-(2,2-dimethylpropanoyloxy)benzoate
CID 71314327
[4-[3-(2-methylprop-2-enoyloxy)-4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]phenyl] 2,2-dimethylpropanoate
CID 135266625

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-phenylphenyl) 2,2-dimethylpropanoate?
The IUPAC name of (5-methyl-2-phenylphenyl) 2,2-dimethylpropanoate (CID 135044858) is (5-methyl-2-phenylphenyl) 2,2-dimethylpropanoate.
What is the SMILES notation for (5-methyl-2-phenylphenyl) 2,2-dimethylpropanoate?
The canonical SMILES for (5-methyl-2-phenylphenyl) 2,2-dimethylpropanoate is Cc1ccc(-c2ccccc2)c(OC(=O)C(C)(C)C)c1.
What is the InChIKey of (5-methyl-2-phenylphenyl) 2,2-dimethylpropanoate?
The InChIKey is PWLRGMHOHYAISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-13-10-11-15(14-8-6-5-7-9-14)16(12-13)20-17(19)18(2,3)4/h5-12H,1-4H3.
What are the key properties of (5-methyl-2-phenylphenyl) 2,2-dimethylpropanoate?
(5-methyl-2-phenylphenyl) 2,2-dimethylpropanoate has a molecular weight of 268.36 g/mol, XLogP of 4.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-phenylphenyl) 2,2-dimethylpropanoate is sourced from PubChem (CID 135044858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).