propan-2-yl 2,2-bis(4-hydroxyphenyl)propanoate

C18H20O4 — CID 139611178

IUPACpropan-2-yl 2,2-bis(4-hydroxyphenyl)propanoate
SMILESCC(C)OC(=O)C(C)(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C18H20O4/c1-12(2)22-17(21)18(3,13-4-8-15(19)9-5-13)14-6-10-16(20)11-7-14/h4-12,19-20H,1-3H3
InChIKeyAPNFPVAYULVFMH-UHFFFAOYSA-N
MW300.35 g/mol
LogP3.36
Rot. Bonds4

About propan-2-yl 2,2-bis(4-hydroxyphenyl)propanoate

propan-2-yl 2,2-bis(4-hydroxyphenyl)propanoate (PubChem CID 139611178) has the molecular formula C18H20O4 and a molecular weight of 300.35 g/mol. Its IUPAC name is propan-2-yl 2,2-bis(4-hydroxyphenyl)propanoate.

Molecular Properties

Compound Namepropan-2-yl 2,2-bis(4-hydroxyphenyl)propanoate
PubChem CID139611178
Molecular FormulaC18H20O4
Molecular Weight300.35 g/mol
Exact Mass300.14
IUPAC Namepropan-2-yl 2,2-bis(4-hydroxyphenyl)propanoate
SMILESCC(C)OC(=O)C(C)(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C18H20O4/c1-12(2)22-17(21)18(3,13-4-8-15(19)9-5-13)14-6-10-16(20)11-7-14/h4-12,19-20H,1-3H3
InChIKeyAPNFPVAYULVFMH-UHFFFAOYSA-N
XLogP3.36
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2,2-bis(4-hydroxyphenyl)propanoate?
The IUPAC name of propan-2-yl 2,2-bis(4-hydroxyphenyl)propanoate (CID 139611178) is propan-2-yl 2,2-bis(4-hydroxyphenyl)propanoate.
What is the SMILES notation for propan-2-yl 2,2-bis(4-hydroxyphenyl)propanoate?
The canonical SMILES for propan-2-yl 2,2-bis(4-hydroxyphenyl)propanoate is CC(C)OC(=O)C(C)(c1ccc(O)cc1)c1ccc(O)cc1.
What is the InChIKey of propan-2-yl 2,2-bis(4-hydroxyphenyl)propanoate?
The InChIKey is APNFPVAYULVFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O4/c1-12(2)22-17(21)18(3,13-4-8-15(19)9-5-13)14-6-10-16(20)11-7-14/h4-12,19-20H,1-3H3.
What are the key properties of propan-2-yl 2,2-bis(4-hydroxyphenyl)propanoate?
propan-2-yl 2,2-bis(4-hydroxyphenyl)propanoate has a molecular weight of 300.35 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2,2-bis(4-hydroxyphenyl)propanoate is sourced from PubChem (CID 139611178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).