(2R)-2-hydroxy-1,5-bis(2-methoxyphenyl)pentane-1,5-dione

C19H20O5 — CID 11738943

IUPAC(2R)-2-hydroxy-1,5-bis(2-methoxyphenyl)pentane-1,5-dione
SMILESCOc1ccccc1C(=O)CC[C@@H](O)C(=O)c1ccccc1OC
InChIInChI=1S/C19H20O5/c1-23-17-9-5-3-7-13(17)15(20)11-12-16(21)19(22)14-8-4-6-10-18(14)24-2/h3-10,16,21H,11-12H2,1-2H3/t16-/m1/s1
InChIKeyKWYWCPCDFZYVPA-MRXNPFEDSA-N
MW328.36 g/mol
LogP2.91
Rot. Bonds8

About (2R)-2-hydroxy-1,5-bis(2-methoxyphenyl)pentane-1,5-dione

(2R)-2-hydroxy-1,5-bis(2-methoxyphenyl)pentane-1,5-dione (PubChem CID 11738943) has the molecular formula C19H20O5 and a molecular weight of 328.36 g/mol. Its IUPAC name is (2R)-2-hydroxy-1,5-bis(2-methoxyphenyl)pentane-1,5-dione.

Molecular Properties

Compound Name(2R)-2-hydroxy-1,5-bis(2-methoxyphenyl)pentane-1,5-dione
PubChem CID11738943
Molecular FormulaC19H20O5
Molecular Weight328.36 g/mol
Exact Mass328.13
IUPAC Name(2R)-2-hydroxy-1,5-bis(2-methoxyphenyl)pentane-1,5-dione
SMILESCOc1ccccc1C(=O)CC[C@@H](O)C(=O)c1ccccc1OC
InChIInChI=1S/C19H20O5/c1-23-17-9-5-3-7-13(17)15(20)11-12-16(21)19(22)14-8-4-6-10-18(14)24-2/h3-10,16,21H,11-12H2,1-2H3/t16-/m1/s1
InChIKeyKWYWCPCDFZYVPA-MRXNPFEDSA-N
XLogP2.91
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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2-methoxybenzoic acid;bis(propan-2-ol)
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CID 94723757

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-1,5-bis(2-methoxyphenyl)pentane-1,5-dione?
The IUPAC name of (2R)-2-hydroxy-1,5-bis(2-methoxyphenyl)pentane-1,5-dione (CID 11738943) is (2R)-2-hydroxy-1,5-bis(2-methoxyphenyl)pentane-1,5-dione.
What is the SMILES notation for (2R)-2-hydroxy-1,5-bis(2-methoxyphenyl)pentane-1,5-dione?
The canonical SMILES for (2R)-2-hydroxy-1,5-bis(2-methoxyphenyl)pentane-1,5-dione is COc1ccccc1C(=O)CC[C@@H](O)C(=O)c1ccccc1OC.
What is the InChIKey of (2R)-2-hydroxy-1,5-bis(2-methoxyphenyl)pentane-1,5-dione?
The InChIKey is KWYWCPCDFZYVPA-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H20O5/c1-23-17-9-5-3-7-13(17)15(20)11-12-16(21)19(22)14-8-4-6-10-18(14)24-2/h3-10,16,21H,11-12H2,1-2H3/t16-/m1/s1.
What are the key properties of (2R)-2-hydroxy-1,5-bis(2-methoxyphenyl)pentane-1,5-dione?
(2R)-2-hydroxy-1,5-bis(2-methoxyphenyl)pentane-1,5-dione has a molecular weight of 328.36 g/mol, XLogP of 2.91, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-1,5-bis(2-methoxyphenyl)pentane-1,5-dione is sourced from PubChem (CID 11738943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).