2,5-bis(2-hydroxyphenyl)cyclopentan-1-one

C17H16O3 — CID 18760303

IUPAC2,5-bis(2-hydroxyphenyl)cyclopentan-1-one
SMILESO=C1C(c2ccccc2O)CCC1c1ccccc1O
InChIInChI=1S/C17H16O3/c18-15-7-3-1-5-11(15)13-9-10-14(17(13)20)12-6-2-4-8-16(12)19/h1-8,13-14,18-19H,9-10H2
InChIKeyUYDXPESGLZRIIF-UHFFFAOYSA-N
MW268.31 g/mol
LogP3.33
Rot. Bonds2

About 2,5-bis(2-hydroxyphenyl)cyclopentan-1-one

2,5-bis(2-hydroxyphenyl)cyclopentan-1-one (PubChem CID 18760303) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is 2,5-bis(2-hydroxyphenyl)cyclopentan-1-one.

Molecular Properties

Compound Name2,5-bis(2-hydroxyphenyl)cyclopentan-1-one
PubChem CID18760303
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Name2,5-bis(2-hydroxyphenyl)cyclopentan-1-one
SMILESO=C1C(c2ccccc2O)CCC1c1ccccc1O
InChIInChI=1S/C17H16O3/c18-15-7-3-1-5-11(15)13-9-10-14(17(13)20)12-6-2-4-8-16(12)19/h1-8,13-14,18-19H,9-10H2
InChIKeyUYDXPESGLZRIIF-UHFFFAOYSA-N
XLogP3.33
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis(2-hydroxyphenyl)cyclopentan-1-one?
The IUPAC name of 2,5-bis(2-hydroxyphenyl)cyclopentan-1-one (CID 18760303) is 2,5-bis(2-hydroxyphenyl)cyclopentan-1-one.
What is the SMILES notation for 2,5-bis(2-hydroxyphenyl)cyclopentan-1-one?
The canonical SMILES for 2,5-bis(2-hydroxyphenyl)cyclopentan-1-one is O=C1C(c2ccccc2O)CCC1c1ccccc1O.
What is the InChIKey of 2,5-bis(2-hydroxyphenyl)cyclopentan-1-one?
The InChIKey is UYDXPESGLZRIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O3/c18-15-7-3-1-5-11(15)13-9-10-14(17(13)20)12-6-2-4-8-16(12)19/h1-8,13-14,18-19H,9-10H2.
What are the key properties of 2,5-bis(2-hydroxyphenyl)cyclopentan-1-one?
2,5-bis(2-hydroxyphenyl)cyclopentan-1-one has a molecular weight of 268.31 g/mol, XLogP of 3.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(2-hydroxyphenyl)cyclopentan-1-one is sourced from PubChem (CID 18760303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).