2,5-bis(4-hydroxy-3-methoxyphenyl)cyclopentan-1-one

C19H20O5 — CID 100938571

IUPAC2,5-bis(4-hydroxy-3-methoxyphenyl)cyclopentan-1-one
SMILESCOc1cc(C2CCC(c3ccc(O)c(OC)c3)C2=O)ccc1O
InChIInChI=1S/C19H20O5/c1-23-17-9-11(3-7-15(17)20)13-5-6-14(19(13)22)12-4-8-16(21)18(10-12)24-2/h3-4,7-10,13-14,20-21H,5-6H2,1-2H3
InChIKeyVDDCDLYWPQXNHT-UHFFFAOYSA-N
MW328.36 g/mol
LogP3.35
Rot. Bonds4

About 2,5-bis(4-hydroxy-3-methoxyphenyl)cyclopentan-1-one

2,5-bis(4-hydroxy-3-methoxyphenyl)cyclopentan-1-one (PubChem CID 100938571) has the molecular formula C19H20O5 and a molecular weight of 328.36 g/mol. Its IUPAC name is 2,5-bis(4-hydroxy-3-methoxyphenyl)cyclopentan-1-one.

Molecular Properties

Compound Name2,5-bis(4-hydroxy-3-methoxyphenyl)cyclopentan-1-one
PubChem CID100938571
Molecular FormulaC19H20O5
Molecular Weight328.36 g/mol
Exact Mass328.13
IUPAC Name2,5-bis(4-hydroxy-3-methoxyphenyl)cyclopentan-1-one
SMILESCOc1cc(C2CCC(c3ccc(O)c(OC)c3)C2=O)ccc1O
InChIInChI=1S/C19H20O5/c1-23-17-9-11(3-7-15(17)20)13-5-6-14(19(13)22)12-4-8-16(21)18(10-12)24-2/h3-4,7-10,13-14,20-21H,5-6H2,1-2H3
InChIKeyVDDCDLYWPQXNHT-UHFFFAOYSA-N
XLogP3.35
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(5R)-5-(4-hydroxy-3-methoxyphenyl)imidazolidine-2,4-dione
CID 699519
4-(4-hydroxy-3-methoxyphenyl)-3,4-dihydrochromen-2-one
CID 101088863
(4S)-4-(4-hydroxy-3-methoxyphenyl)-1,3-oxazolidin-2-one
CID 129373304
(4S)-5-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-7-methyl-3,4-dihydrochromen-2-one
CID 121484594
4-(4-hydroxy-3-methoxyphenyl)-3,4-dihydrochromen-2-one;methane
CID 145124096
(3aS,6aS)-1,4-bis(4-hydroxy-3-methoxyphenyl)-1,3a,4,6a-tetrahydrofuro[3,4-c]furan-3,6-dione
CID 101432518
(2R)-3-acetyl-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1,2-dihydropyrrol-5-one
CID 7236369
(4R)-7-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-6-methyl-3,4-dihydrochromen-2-one
CID 166157644
(4R)-4-(4-hydroxy-3-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171184949
2,4-bis(4-hydroxy-3-methoxyphenyl)cyclobutane-1,3-dicarboxylic acid
CID 11429153
7,11-bis(4-hydroxy-3-methoxyphenyl)-2,4,8,10-tetrazaspiro[5.5]undecane-1,3,5,9-tetrone
CID 22331027
2-methoxy-4-(1,1,3,3-tetraoxo-1,3-dithian-5-yl)phenol
CID 676994

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(4-hydroxy-3-methoxyphenyl)cyclopentan-1-one?
The IUPAC name of 2,5-bis(4-hydroxy-3-methoxyphenyl)cyclopentan-1-one (CID 100938571) is 2,5-bis(4-hydroxy-3-methoxyphenyl)cyclopentan-1-one.
What is the SMILES notation for 2,5-bis(4-hydroxy-3-methoxyphenyl)cyclopentan-1-one?
The canonical SMILES for 2,5-bis(4-hydroxy-3-methoxyphenyl)cyclopentan-1-one is COc1cc(C2CCC(c3ccc(O)c(OC)c3)C2=O)ccc1O.
What is the InChIKey of 2,5-bis(4-hydroxy-3-methoxyphenyl)cyclopentan-1-one?
The InChIKey is VDDCDLYWPQXNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O5/c1-23-17-9-11(3-7-15(17)20)13-5-6-14(19(13)22)12-4-8-16(21)18(10-12)24-2/h3-4,7-10,13-14,20-21H,5-6H2,1-2H3.
What are the key properties of 2,5-bis(4-hydroxy-3-methoxyphenyl)cyclopentan-1-one?
2,5-bis(4-hydroxy-3-methoxyphenyl)cyclopentan-1-one has a molecular weight of 328.36 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(4-hydroxy-3-methoxyphenyl)cyclopentan-1-one is sourced from PubChem (CID 100938571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).