2-(5-cyclopentyl-2-hydroxy-3-methoxyphenyl)-1-(4-hydroxy-3-methoxyphenyl)ethanone

C21H24O5 — CID 25157641

IUPAC2-(5-cyclopentyl-2-hydroxy-3-methoxyphenyl)-1-(4-hydroxy-3-methoxyphenyl)ethanone
SMILESCOc1cc(C(=O)Cc2cc(C3CCCC3)cc(OC)c2O)ccc1O
InChIInChI=1S/C21H24O5/c1-25-19-11-14(7-8-17(19)22)18(23)10-16-9-15(13-5-3-4-6-13)12-20(26-2)21(16)24/h7-9,11-13,22,24H,3-6,10H2,1-2H3
InChIKeyWFUXDALLCBZXQI-UHFFFAOYSA-N
MW356.42 g/mol
LogP4.20
Rot. Bonds6

About 2-(5-cyclopentyl-2-hydroxy-3-methoxyphenyl)-1-(4-hydroxy-3-methoxyphenyl)ethanone

2-(5-cyclopentyl-2-hydroxy-3-methoxyphenyl)-1-(4-hydroxy-3-methoxyphenyl)ethanone (PubChem CID 25157641) has the molecular formula C21H24O5 and a molecular weight of 356.42 g/mol. Its IUPAC name is 2-(5-cyclopentyl-2-hydroxy-3-methoxyphenyl)-1-(4-hydroxy-3-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(5-cyclopentyl-2-hydroxy-3-methoxyphenyl)-1-(4-hydroxy-3-methoxyphenyl)ethanone
PubChem CID25157641
Molecular FormulaC21H24O5
Molecular Weight356.42 g/mol
Exact Mass356.16
IUPAC Name2-(5-cyclopentyl-2-hydroxy-3-methoxyphenyl)-1-(4-hydroxy-3-methoxyphenyl)ethanone
SMILESCOc1cc(C(=O)Cc2cc(C3CCCC3)cc(OC)c2O)ccc1O
InChIInChI=1S/C21H24O5/c1-25-19-11-14(7-8-17(19)22)18(23)10-16-9-15(13-5-3-4-6-13)12-20(26-2)21(16)24/h7-9,11-13,22,24H,3-6,10H2,1-2H3
InChIKeyWFUXDALLCBZXQI-UHFFFAOYSA-N
XLogP4.20
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-[(3R,3aR,6R,6aS)-3-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2-hydroxy-3-methoxyphenyl]-1-(4-hydroxy-3-methoxyphenyl)ethanone
CID 156599164
1,3-bis(4-hydroxy-3-methoxyphenyl)propane-1,3-dione
CID 143339753
[2-(4-hydroxy-3-methoxybenzoyl)oxycyclohexyl] 4-hydroxy-3-methoxybenzoate
CID 67411034
(4-hydroxy-3-methoxyphenyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 110473392
cyclohexane-1,3-diol;bis(4-hydroxy-3-methoxybenzoic acid)
CID 67408860
4-hydroxy-3-methoxybenzoic acid;hydrate
CID 118665847
[(1R,3R)-3-(4-hydroxy-3-methoxybenzoyl)oxycyclopentyl] 4-hydroxy-3-methoxybenzoate
CID 67003249
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl 4-hydroxy-3-methoxybenzoate
CID 122423267
2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)ethanone
CID 82102039
2-cyclopentyl-1-(3-methoxy-4-methylphenyl)ethanone
CID 114969347
acetic acid;1-(4-hydroxy-3-methoxyphenyl)ethanone
CID 66599170
2,4-bis(4-hydroxy-3-methoxyphenyl)cyclobutane-1,3-dicarboxylic acid
CID 11429153

Frequently Asked Questions

What is the IUPAC name of 2-(5-cyclopentyl-2-hydroxy-3-methoxyphenyl)-1-(4-hydroxy-3-methoxyphenyl)ethanone?
The IUPAC name of 2-(5-cyclopentyl-2-hydroxy-3-methoxyphenyl)-1-(4-hydroxy-3-methoxyphenyl)ethanone (CID 25157641) is 2-(5-cyclopentyl-2-hydroxy-3-methoxyphenyl)-1-(4-hydroxy-3-methoxyphenyl)ethanone.
What is the SMILES notation for 2-(5-cyclopentyl-2-hydroxy-3-methoxyphenyl)-1-(4-hydroxy-3-methoxyphenyl)ethanone?
The canonical SMILES for 2-(5-cyclopentyl-2-hydroxy-3-methoxyphenyl)-1-(4-hydroxy-3-methoxyphenyl)ethanone is COc1cc(C(=O)Cc2cc(C3CCCC3)cc(OC)c2O)ccc1O.
What is the InChIKey of 2-(5-cyclopentyl-2-hydroxy-3-methoxyphenyl)-1-(4-hydroxy-3-methoxyphenyl)ethanone?
The InChIKey is WFUXDALLCBZXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O5/c1-25-19-11-14(7-8-17(19)22)18(23)10-16-9-15(13-5-3-4-6-13)12-20(26-2)21(16)24/h7-9,11-13,22,24H,3-6,10H2,1-2H3.
What are the key properties of 2-(5-cyclopentyl-2-hydroxy-3-methoxyphenyl)-1-(4-hydroxy-3-methoxyphenyl)ethanone?
2-(5-cyclopentyl-2-hydroxy-3-methoxyphenyl)-1-(4-hydroxy-3-methoxyphenyl)ethanone has a molecular weight of 356.42 g/mol, XLogP of 4.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyclopentyl-2-hydroxy-3-methoxyphenyl)-1-(4-hydroxy-3-methoxyphenyl)ethanone is sourced from PubChem (CID 25157641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).