(2R)-2-(4-methoxyphenyl)butanedioate

C11H10O5-2 — CID 6941687

IUPAC(2R)-2-(4-methoxyphenyl)butanedioate
SMILESCOc1ccc([C@@H](CC(=O)[O-])C(=O)[O-])cc1
InChIInChI=1S/C11H12O5/c1-16-8-4-2-7(3-5-8)9(11(14)15)6-10(12)13/h2-5,9H,6H2,1H3,(H,12,13)(H,14,15)/p-2/t9-/m1/s1
InChIKeySPOXAJHVFXSERN-SECBINFHSA-L
MW222.20 g/mol
LogP-1.33
Rot. Bonds5

About (2R)-2-(4-methoxyphenyl)butanedioate

(2R)-2-(4-methoxyphenyl)butanedioate (PubChem CID 6941687) has the molecular formula C11H10O5-2 and a molecular weight of 222.20 g/mol. Its IUPAC name is (2R)-2-(4-methoxyphenyl)butanedioate.

Molecular Properties

Compound Name(2R)-2-(4-methoxyphenyl)butanedioate
PubChem CID6941687
Molecular FormulaC11H10O5-2
Molecular Weight222.20 g/mol
Exact Mass222.05
IUPAC Name(2R)-2-(4-methoxyphenyl)butanedioate
SMILESCOc1ccc([C@@H](CC(=O)[O-])C(=O)[O-])cc1
InChIInChI=1S/C11H12O5/c1-16-8-4-2-7(3-5-8)9(11(14)15)6-10(12)13/h2-5,9H,6H2,1H3,(H,12,13)(H,14,15)/p-2/t9-/m1/s1
InChIKeySPOXAJHVFXSERN-SECBINFHSA-L
XLogP-1.33
TPSA89.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 5-1.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-3-(4-methoxyphenyl)-4-methylpentanoate
CID 7083022
(2R)-2-[4-[4-[4-[(1S)-1,2-dicarboxylatoethyl]phenoxy]butoxy]phenyl]butanedioate
CID 7563904
(2R)-2-(4-propoxyphenyl)butanedioate
CID 7037635
2-(4-methoxyphenyl)hexanoate
CID 19815864
(3S)-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propanoate
CID 2038667
(3S)-3-cyano-3-(4-methoxyphenyl)propanoate
CID 7350517
calcium bis(2-hydroxy-2-(4-methoxyphenyl)acetate)
CID 140565006
3-[(4-methoxybenzoyl)amino]-3-(4-methoxyphenyl)propanoate
CID 3455324
3-fluoro-2-(4-methoxyphenyl)propanoic acid
CID 20555403
4,4-difluoro-3-(4-methoxyphenyl)butanoic acid
CID 115037588
4-hydroxy-4-(4-methoxyphenyl)-2-oxobutanoic acid
CID 102408394
(3R)-3-(4-methoxyphenyl)-1-phenylpentane-1,4-dione
CID 23661145

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-methoxyphenyl)butanedioate?
The IUPAC name of (2R)-2-(4-methoxyphenyl)butanedioate (CID 6941687) is (2R)-2-(4-methoxyphenyl)butanedioate.
What is the SMILES notation for (2R)-2-(4-methoxyphenyl)butanedioate?
The canonical SMILES for (2R)-2-(4-methoxyphenyl)butanedioate is COc1ccc([C@@H](CC(=O)[O-])C(=O)[O-])cc1.
What is the InChIKey of (2R)-2-(4-methoxyphenyl)butanedioate?
The InChIKey is SPOXAJHVFXSERN-SECBINFHSA-L. The full InChI is InChI=1S/C11H12O5/c1-16-8-4-2-7(3-5-8)9(11(14)15)6-10(12)13/h2-5,9H,6H2,1H3,(H,12,13)(H,14,15)/p-2/t9-/m1/s1.
What are the key properties of (2R)-2-(4-methoxyphenyl)butanedioate?
(2R)-2-(4-methoxyphenyl)butanedioate has a molecular weight of 222.20 g/mol, XLogP of -1.33, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-methoxyphenyl)butanedioate is sourced from PubChem (CID 6941687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).