(2-propan-2-ylphenyl) 3-(4-methylphenyl)propanoate

C19H22O2 — CID 19220587

IUPAC(2-propan-2-ylphenyl) 3-(4-methylphenyl)propanoate
SMILESCc1ccc(CCC(=O)Oc2ccccc2C(C)C)cc1
InChIInChI=1S/C19H22O2/c1-14(2)17-6-4-5-7-18(17)21-19(20)13-12-16-10-8-15(3)9-11-16/h4-11,14H,12-13H2,1-3H3
InChIKeyMGPRTGRCIRXXTP-UHFFFAOYSA-N
MW282.38 g/mol
LogP4.66
Rot. Bonds5

About (2-propan-2-ylphenyl) 3-(4-methylphenyl)propanoate

(2-propan-2-ylphenyl) 3-(4-methylphenyl)propanoate (PubChem CID 19220587) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is (2-propan-2-ylphenyl) 3-(4-methylphenyl)propanoate.

Molecular Properties

Compound Name(2-propan-2-ylphenyl) 3-(4-methylphenyl)propanoate
PubChem CID19220587
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name(2-propan-2-ylphenyl) 3-(4-methylphenyl)propanoate
SMILESCc1ccc(CCC(=O)Oc2ccccc2C(C)C)cc1
InChIInChI=1S/C19H22O2/c1-14(2)17-6-4-5-7-18(17)21-19(20)13-12-16-10-8-15(3)9-11-16/h4-11,14H,12-13H2,1-3H3
InChIKeyMGPRTGRCIRXXTP-UHFFFAOYSA-N
XLogP4.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 54.66
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

(2-propan-2-ylphenyl) N-[2-(4-fluorophenyl)ethyl]carbamate
CID 57330094
(2,5-dimethylphenyl) 3-phenylpropanoate
CID 699916
(4-fluorophenyl) 3-(4-methylphenyl)propanoate
CID 19220615
(2-propan-2-ylphenyl) N-[2-(4-methoxyphenyl)ethyl]carbamate
CID 127551051
(2-propan-2-ylphenyl) (E)-3-(4-methylphenyl)prop-2-enoate
CID 917922
[(2R)-2-phenylpropyl] 3-(4-methylphenyl)propanoate
CID 100981005
1-O-(2-methylpropyl) 10-O-(2-propan-2-ylphenyl) decanedioate
CID 91715646
(2-ethoxyphenyl) 3-(4-methoxyphenyl)propanoate
CID 19221084
(4-ethyl-2-methoxyphenyl) 3-(4-methylphenyl)propanoate
CID 176892680
(4-phenylphenyl) 3-(4-propan-2-ylphenyl)propanoate
CID 19221602
(2-propan-2-ylphenyl) 2-hydroxybenzoate
CID 22898697
1-O-heptyl 5-O-(2-propan-2-ylphenyl) pentanedioate
CID 91709120

Frequently Asked Questions

What is the IUPAC name of (2-propan-2-ylphenyl) 3-(4-methylphenyl)propanoate?
The IUPAC name of (2-propan-2-ylphenyl) 3-(4-methylphenyl)propanoate (CID 19220587) is (2-propan-2-ylphenyl) 3-(4-methylphenyl)propanoate.
What is the SMILES notation for (2-propan-2-ylphenyl) 3-(4-methylphenyl)propanoate?
The canonical SMILES for (2-propan-2-ylphenyl) 3-(4-methylphenyl)propanoate is Cc1ccc(CCC(=O)Oc2ccccc2C(C)C)cc1.
What is the InChIKey of (2-propan-2-ylphenyl) 3-(4-methylphenyl)propanoate?
The InChIKey is MGPRTGRCIRXXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2/c1-14(2)17-6-4-5-7-18(17)21-19(20)13-12-16-10-8-15(3)9-11-16/h4-11,14H,12-13H2,1-3H3.
What are the key properties of (2-propan-2-ylphenyl) 3-(4-methylphenyl)propanoate?
(2-propan-2-ylphenyl) 3-(4-methylphenyl)propanoate has a molecular weight of 282.38 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propan-2-ylphenyl) 3-(4-methylphenyl)propanoate is sourced from PubChem (CID 19220587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).