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

C20H24O4 — CID 139611128

IUPACpropyl 2,2-bis(4-hydroxyphenyl)pentanoate
SMILESCCCOC(=O)C(CCC)(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C20H24O4/c1-3-13-20(19(23)24-14-4-2,15-5-9-17(21)10-6-15)16-7-11-18(22)12-8-16/h5-12,21-22H,3-4,13-14H2,1-2H3
InChIKeyQBAYFTSKHCUSGF-UHFFFAOYSA-N
MW328.41 g/mol
LogP4.14
Rot. Bonds7

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

propyl 2,2-bis(4-hydroxyphenyl)pentanoate (PubChem CID 139611128) has the molecular formula C20H24O4 and a molecular weight of 328.41 g/mol. Its IUPAC name is propyl 2,2-bis(4-hydroxyphenyl)pentanoate.

Molecular Properties

Compound Namepropyl 2,2-bis(4-hydroxyphenyl)pentanoate
PubChem CID139611128
Molecular FormulaC20H24O4
Molecular Weight328.41 g/mol
Exact Mass328.17
IUPAC Namepropyl 2,2-bis(4-hydroxyphenyl)pentanoate
SMILESCCCOC(=O)C(CCC)(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C20H24O4/c1-3-13-20(19(23)24-14-4-2,15-5-9-17(21)10-6-15)16-7-11-18(22)12-8-16/h5-12,21-22H,3-4,13-14H2,1-2H3
InChIKeyQBAYFTSKHCUSGF-UHFFFAOYSA-N
XLogP4.14
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propyl 2,2-bis(4-hydroxyphenyl)pentanoate?
The IUPAC name of propyl 2,2-bis(4-hydroxyphenyl)pentanoate (CID 139611128) is propyl 2,2-bis(4-hydroxyphenyl)pentanoate.
What is the SMILES notation for propyl 2,2-bis(4-hydroxyphenyl)pentanoate?
The canonical SMILES for propyl 2,2-bis(4-hydroxyphenyl)pentanoate is CCCOC(=O)C(CCC)(c1ccc(O)cc1)c1ccc(O)cc1.
What is the InChIKey of propyl 2,2-bis(4-hydroxyphenyl)pentanoate?
The InChIKey is QBAYFTSKHCUSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O4/c1-3-13-20(19(23)24-14-4-2,15-5-9-17(21)10-6-15)16-7-11-18(22)12-8-16/h5-12,21-22H,3-4,13-14H2,1-2H3.
What are the key properties of propyl 2,2-bis(4-hydroxyphenyl)pentanoate?
propyl 2,2-bis(4-hydroxyphenyl)pentanoate has a molecular weight of 328.41 g/mol, XLogP of 4.14, 7 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)pentanoate is sourced from PubChem (CID 139611128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).