[2-methyl-4-(2-phenylpropan-2-yl)phenyl] prop-2-enoate

C19H20O2 — CID 20820433

IUPAC[2-methyl-4-(2-phenylpropan-2-yl)phenyl] prop-2-enoate
SMILESC=CC(=O)Oc1ccc(C(C)(C)c2ccccc2)cc1C
InChIInChI=1S/C19H20O2/c1-5-18(20)21-17-12-11-16(13-14(17)2)19(3,4)15-9-7-6-8-10-15/h5-13H,1H2,2-4H3
InChIKeyWFZWPYDKYJBGTI-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.41
Rot. Bonds4

About [2-methyl-4-(2-phenylpropan-2-yl)phenyl] prop-2-enoate

[2-methyl-4-(2-phenylpropan-2-yl)phenyl] prop-2-enoate (PubChem CID 20820433) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is [2-methyl-4-(2-phenylpropan-2-yl)phenyl] prop-2-enoate.

Molecular Properties

Compound Name[2-methyl-4-(2-phenylpropan-2-yl)phenyl] prop-2-enoate
PubChem CID20820433
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Name[2-methyl-4-(2-phenylpropan-2-yl)phenyl] prop-2-enoate
SMILESC=CC(=O)Oc1ccc(C(C)(C)c2ccccc2)cc1C
InChIInChI=1S/C19H20O2/c1-5-18(20)21-17-12-11-16(13-14(17)2)19(3,4)15-9-7-6-8-10-15/h5-13H,1H2,2-4H3
InChIKeyWFZWPYDKYJBGTI-UHFFFAOYSA-N
XLogP4.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[4-[2-[4-[amino-(2-methylphenoxy)phosphanyl]oxy-3-methylphenyl]propan-2-yl]-2-methylphenyl] prop-2-enoate
CID 89033808
[2-ethyl-4-[2-(3-ethyl-4-prop-2-enoyloxyphenyl)propan-2-yl]phenyl] prop-2-enoate
CID 59739200
2-[2-methyl-4-[2-[3-methyl-4-(2-prop-2-enoyloxyethoxy)phenyl]propan-2-yl]phenoxy]ethyl prop-2-enoate
CID 59739112
(2-benzoyl-4-tert-butylphenyl) prop-2-enoate
CID 141437960
[4-[2-(4-carbonobromidoyloxy-3-methylphenyl)propan-2-yl]-2-methylphenyl] carbonobromidate
CID 139838811
(2-ethoxyphenyl) prop-2-enoate;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
CID 175484421
[4-[2-[4-(2-fluorobenzoyl)oxy-3-methylphenyl]propan-2-yl]-2-methylphenyl] 2-fluorobenzoate
CID 3090735
benzoic acid;(2-hydroxy-4-methylphenyl) prop-2-enoate
CID 174882954
(4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate
CID 70427728
4-[4-(2-phenylpropan-2-yl)phenoxy]butyl prop-2-enoate
CID 175070741
11-[4-(2-phenylpropan-2-yl)phenoxy]undecyl prop-2-enoate
CID 164916146
[4-[[4-[difluoro-(4-prop-2-enoyloxyphenyl)methoxy]-3-methylphenoxy]-difluoromethyl]phenyl] prop-2-enoate;ethane
CID 123400778

Frequently Asked Questions

What is the IUPAC name of [2-methyl-4-(2-phenylpropan-2-yl)phenyl] prop-2-enoate?
The IUPAC name of [2-methyl-4-(2-phenylpropan-2-yl)phenyl] prop-2-enoate (CID 20820433) is [2-methyl-4-(2-phenylpropan-2-yl)phenyl] prop-2-enoate.
What is the SMILES notation for [2-methyl-4-(2-phenylpropan-2-yl)phenyl] prop-2-enoate?
The canonical SMILES for [2-methyl-4-(2-phenylpropan-2-yl)phenyl] prop-2-enoate is C=CC(=O)Oc1ccc(C(C)(C)c2ccccc2)cc1C.
What is the InChIKey of [2-methyl-4-(2-phenylpropan-2-yl)phenyl] prop-2-enoate?
The InChIKey is WFZWPYDKYJBGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O2/c1-5-18(20)21-17-12-11-16(13-14(17)2)19(3,4)15-9-7-6-8-10-15/h5-13H,1H2,2-4H3.
What are the key properties of [2-methyl-4-(2-phenylpropan-2-yl)phenyl] prop-2-enoate?
[2-methyl-4-(2-phenylpropan-2-yl)phenyl] prop-2-enoate has a molecular weight of 280.37 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-4-(2-phenylpropan-2-yl)phenyl] prop-2-enoate is sourced from PubChem (CID 20820433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).