(2R,3R,4R)-4-hydroxy-3-[(E,3S)-3-hydroxy-4-[3-(methoxymethyl)phenyl]but-1-enyl]-2-[2-[4-(hydroxymethyl)phenyl]ethyl]cyclopentan-1-one

About (2R,3R,4R)-4-hydroxy-3-[(E,3S)-3-hydroxy-4-[3-(methoxymethyl)phenyl]but-1-enyl]-2-[2-[4-(hydroxymethyl)phenyl]ethyl]cyclopentan-1-one

(2R,3R,4R)-4-hydroxy-3-[(E,3S)-3-hydroxy-4-[3-(methoxymethyl)phenyl]but-1-enyl]-2-[2-[4-(hydroxymethyl)phenyl]ethyl]cyclopentan-1-one (PubChem CID 10202607) has the molecular formula C26H32O5 and a molecular weight of 424.54 g/mol. Its IUPAC name is (2R,3R,4R)-4-hydroxy-3-[(E,3S)-3-hydroxy-4-[3-(methoxymethyl)phenyl]but-1-enyl]-2-[2-[4-(hydroxymethyl)phenyl]ethyl]cyclopentan-1-one.

Molecular Properties

Compound Name	(2R,3R,4R)-4-hydroxy-3-[(E,3S)-3-hydroxy-4-[3-(methoxymethyl)phenyl]but-1-enyl]-2-[2-[4-(hydroxymethyl)phenyl]ethyl]cyclopentan-1-one
PubChem CID	10202607
Molecular Formula	C26H32O5
Molecular Weight	424.54 g/mol
Exact Mass	424.22
IUPAC Name	(2R,3R,4R)-4-hydroxy-3-[(E,3S)-3-hydroxy-4-[3-(methoxymethyl)phenyl]but-1-enyl]-2-[2-[4-(hydroxymethyl)phenyl]ethyl]cyclopentan-1-one
SMILES	COCc1cccc(C[C@H](O)/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2CCc2ccc(CO)cc2)c1
InChI	InChI=1S/C26H32O5/c1-31-17-21-4-2-3-20(13-21)14-22(28)10-12-24-23(25(29)15-26(24)30)11-9-18-5-7-19(16-27)8-6-18/h2-8,10,12-13,22-24,26-28,30H,9,11,14-17H2,1H3/b12-10+/t22-,23-,24-,26-/m1/s1
InChIKey	SNDNLNZSKUJEDL-KLCZFUPJSA-N
XLogP	2.98
TPSA	86.99 Å²
H-Bond Donors	3
H-Bond Acceptors	5
Rotatable Bonds	10
Heavy Atoms	31
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.54
LogP ≤ 5	2.98
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R)-4-hydroxy-3-[(E,3S)-3-hydroxy-4-[3-(methoxymethyl)phenyl]but-1-enyl]-2-[2-[4-(hydroxymethyl)phenyl]ethyl]cyclopentan-1-one?

The IUPAC name of (2R,3R,4R)-4-hydroxy-3-[(E,3S)-3-hydroxy-4-[3-(methoxymethyl)phenyl]but-1-enyl]-2-[2-[4-(hydroxymethyl)phenyl]ethyl]cyclopentan-1-one (CID 10202607) is (2R,3R,4R)-4-hydroxy-3-[(E,3S)-3-hydroxy-4-[3-(methoxymethyl)phenyl]but-1-enyl]-2-[2-[4-(hydroxymethyl)phenyl]ethyl]cyclopentan-1-one.

What is the SMILES notation for (2R,3R,4R)-4-hydroxy-3-[(E,3S)-3-hydroxy-4-[3-(methoxymethyl)phenyl]but-1-enyl]-2-[2-[4-(hydroxymethyl)phenyl]ethyl]cyclopentan-1-one?

The canonical SMILES for (2R,3R,4R)-4-hydroxy-3-[(E,3S)-3-hydroxy-4-[3-(methoxymethyl)phenyl]but-1-enyl]-2-[2-[4-(hydroxymethyl)phenyl]ethyl]cyclopentan-1-one is COCc1cccc(C[C@H](O)/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2CCc2ccc(CO)cc2)c1.

What is the InChIKey of (2R,3R,4R)-4-hydroxy-3-[(E,3S)-3-hydroxy-4-[3-(methoxymethyl)phenyl]but-1-enyl]-2-[2-[4-(hydroxymethyl)phenyl]ethyl]cyclopentan-1-one?

The InChIKey is SNDNLNZSKUJEDL-KLCZFUPJSA-N. The full InChI is InChI=1S/C26H32O5/c1-31-17-21-4-2-3-20(13-21)14-22(28)10-12-24-23(25(29)15-26(24)30)11-9-18-5-7-19(16-27)8-6-18/h2-8,10,12-13,22-24,26-28,30H,9,11,14-17H2,1H3/b12-10+/t22-,23-,24-,26-/m1/s1.

What are the key properties of (2R,3R,4R)-4-hydroxy-3-[(E,3S)-3-hydroxy-4-[3-(methoxymethyl)phenyl]but-1-enyl]-2-[2-[4-(hydroxymethyl)phenyl]ethyl]cyclopentan-1-one?

(2R,3R,4R)-4-hydroxy-3-[(E,3S)-3-hydroxy-4-[3-(methoxymethyl)phenyl]but-1-enyl]-2-[2-[4-(hydroxymethyl)phenyl]ethyl]cyclopentan-1-one has a molecular weight of 424.54 g/mol, XLogP of 2.98, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R,4R)-4-hydroxy-3-[(E,3S)-3-hydroxy-4-[3-(methoxymethyl)phenyl]but-1-enyl]-2-[2-[4-(hydroxymethyl)phenyl]ethyl]cyclopentan-1-one is sourced from PubChem (CID 10202607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).