propyl 2,2-bis(4-hydroxyphenyl)propanoate

C18H20O4 — CID 139611231

IUPACpropyl 2,2-bis(4-hydroxyphenyl)propanoate
SMILESCCCOC(=O)C(C)(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C18H20O4/c1-3-12-22-17(21)18(2,13-4-8-15(19)9-5-13)14-6-10-16(20)11-7-14/h4-11,19-20H,3,12H2,1-2H3
InChIKeyUXUQPBRVTIMWRU-UHFFFAOYSA-N
MW300.35 g/mol
LogP3.36
Rot. Bonds5

About propyl 2,2-bis(4-hydroxyphenyl)propanoate

propyl 2,2-bis(4-hydroxyphenyl)propanoate (PubChem CID 139611231) has the molecular formula C18H20O4 and a molecular weight of 300.35 g/mol. Its IUPAC name is propyl 2,2-bis(4-hydroxyphenyl)propanoate.

Molecular Properties

Compound Namepropyl 2,2-bis(4-hydroxyphenyl)propanoate
PubChem CID139611231
Molecular FormulaC18H20O4
Molecular Weight300.35 g/mol
Exact Mass300.14
IUPAC Namepropyl 2,2-bis(4-hydroxyphenyl)propanoate
SMILESCCCOC(=O)C(C)(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C18H20O4/c1-3-12-22-17(21)18(2,13-4-8-15(19)9-5-13)14-6-10-16(20)11-7-14/h4-11,19-20H,3,12H2,1-2H3
InChIKeyUXUQPBRVTIMWRU-UHFFFAOYSA-N
XLogP3.36
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

propyl 2,2-bis(4-hydroxyphenyl)pentanoate
CID 139611128
2,2-bis(4-hydroxyphenyl)pentan-3-one
CID 102133981
propan-2-yl 2,2-bis(4-hydroxyphenyl)propanoate
CID 139611178
propyl 4-hydroxybenzoate
CID 66683808
bis(propyl 4-hydroxybenzoate);zinc
CID 131880799
1-O-butyl 3-O-methyl 2-amino-2-(4-hydroxyphenyl)propanedioate
CID 68730894
propyl 2-(4-hydroxyanilino)acetate
CID 22630351
2-(2,2-diphenylpropanoyloxy)ethyl-trimethylazanium
CID 21299458
4-methylphenol;propyl propanoate
CID 174290139
butane;2-hydroxyethyl 2,2-bis(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 87081558
2-(2,2-diphenylpropanoyloxy)ethyl-dimethylazanium chloride
CID 44658693
phenol;propyl carbamate
CID 174701394

Frequently Asked Questions

What is the IUPAC name of propyl 2,2-bis(4-hydroxyphenyl)propanoate?
The IUPAC name of propyl 2,2-bis(4-hydroxyphenyl)propanoate (CID 139611231) is propyl 2,2-bis(4-hydroxyphenyl)propanoate.
What is the SMILES notation for propyl 2,2-bis(4-hydroxyphenyl)propanoate?
The canonical SMILES for propyl 2,2-bis(4-hydroxyphenyl)propanoate is CCCOC(=O)C(C)(c1ccc(O)cc1)c1ccc(O)cc1.
What is the InChIKey of propyl 2,2-bis(4-hydroxyphenyl)propanoate?
The InChIKey is UXUQPBRVTIMWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O4/c1-3-12-22-17(21)18(2,13-4-8-15(19)9-5-13)14-6-10-16(20)11-7-14/h4-11,19-20H,3,12H2,1-2H3.
What are the key properties of propyl 2,2-bis(4-hydroxyphenyl)propanoate?
propyl 2,2-bis(4-hydroxyphenyl)propanoate has a molecular weight of 300.35 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2,2-bis(4-hydroxyphenyl)propanoate is sourced from PubChem (CID 139611231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).