(5R)-5-hydroxy-2-(4-methoxy-3-methylphenyl)cyclohex-2-ene-1,4-dione

C14H14O4 — CID 170010759

IUPAC(5R)-5-hydroxy-2-(4-methoxy-3-methylphenyl)cyclohex-2-ene-1,4-dione
SMILESCOc1ccc(C2=CC(=O)[C@H](O)CC2=O)cc1C
InChIInChI=1S/C14H14O4/c1-8-5-9(3-4-14(8)18-2)10-6-12(16)13(17)7-11(10)15/h3-6,13,17H,7H2,1-2H3/t13-/m1/s1
InChIKeyCLBZQGSGEGEATR-CYBMUJFWSA-N
MW246.26 g/mol
LogP1.29
Rot. Bonds2

About (5R)-5-hydroxy-2-(4-methoxy-3-methylphenyl)cyclohex-2-ene-1,4-dione

(5R)-5-hydroxy-2-(4-methoxy-3-methylphenyl)cyclohex-2-ene-1,4-dione (PubChem CID 170010759) has the molecular formula C14H14O4 and a molecular weight of 246.26 g/mol. Its IUPAC name is (5R)-5-hydroxy-2-(4-methoxy-3-methylphenyl)cyclohex-2-ene-1,4-dione.

Molecular Properties

Compound Name(5R)-5-hydroxy-2-(4-methoxy-3-methylphenyl)cyclohex-2-ene-1,4-dione
PubChem CID170010759
Molecular FormulaC14H14O4
Molecular Weight246.26 g/mol
Exact Mass246.09
IUPAC Name(5R)-5-hydroxy-2-(4-methoxy-3-methylphenyl)cyclohex-2-ene-1,4-dione
SMILESCOc1ccc(C2=CC(=O)[C@H](O)CC2=O)cc1C
InChIInChI=1S/C14H14O4/c1-8-5-9(3-4-14(8)18-2)10-6-12(16)13(17)7-11(10)15/h3-6,13,17H,7H2,1-2H3/t13-/m1/s1
InChIKeyCLBZQGSGEGEATR-CYBMUJFWSA-N
XLogP1.29
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-hydroxy-2-(4-methoxy-3-methylphenyl)cyclohex-2-ene-1,4-dione?
The IUPAC name of (5R)-5-hydroxy-2-(4-methoxy-3-methylphenyl)cyclohex-2-ene-1,4-dione (CID 170010759) is (5R)-5-hydroxy-2-(4-methoxy-3-methylphenyl)cyclohex-2-ene-1,4-dione.
What is the SMILES notation for (5R)-5-hydroxy-2-(4-methoxy-3-methylphenyl)cyclohex-2-ene-1,4-dione?
The canonical SMILES for (5R)-5-hydroxy-2-(4-methoxy-3-methylphenyl)cyclohex-2-ene-1,4-dione is COc1ccc(C2=CC(=O)[C@H](O)CC2=O)cc1C.
What is the InChIKey of (5R)-5-hydroxy-2-(4-methoxy-3-methylphenyl)cyclohex-2-ene-1,4-dione?
The InChIKey is CLBZQGSGEGEATR-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H14O4/c1-8-5-9(3-4-14(8)18-2)10-6-12(16)13(17)7-11(10)15/h3-6,13,17H,7H2,1-2H3/t13-/m1/s1.
What are the key properties of (5R)-5-hydroxy-2-(4-methoxy-3-methylphenyl)cyclohex-2-ene-1,4-dione?
(5R)-5-hydroxy-2-(4-methoxy-3-methylphenyl)cyclohex-2-ene-1,4-dione has a molecular weight of 246.26 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-hydroxy-2-(4-methoxy-3-methylphenyl)cyclohex-2-ene-1,4-dione is sourced from PubChem (CID 170010759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).