(4R)-4-(4-hydroxy-3,5-dimethylphenyl)-6-methyl-3,4-dihydrochromen-2-one

C18H18O3 — CID 139189482

IUPAC(4R)-4-(4-hydroxy-3,5-dimethylphenyl)-6-methyl-3,4-dihydrochromen-2-one
SMILESCc1ccc2c(c1)[C@@H](c1cc(C)c(O)c(C)c1)CC(=O)O2
InChIInChI=1S/C18H18O3/c1-10-4-5-16-15(6-10)14(9-17(19)21-16)13-7-11(2)18(20)12(3)8-13/h4-8,14,20H,9H2,1-3H3/t14-/m1/s1
InChIKeyZULACWZRCBJJSM-CQSZACIVSA-N
MW282.34 g/mol
LogP3.76
Rot. Bonds1

About (4R)-4-(4-hydroxy-3,5-dimethylphenyl)-6-methyl-3,4-dihydrochromen-2-one

(4R)-4-(4-hydroxy-3,5-dimethylphenyl)-6-methyl-3,4-dihydrochromen-2-one (PubChem CID 139189482) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is (4R)-4-(4-hydroxy-3,5-dimethylphenyl)-6-methyl-3,4-dihydrochromen-2-one.

Molecular Properties

Compound Name(4R)-4-(4-hydroxy-3,5-dimethylphenyl)-6-methyl-3,4-dihydrochromen-2-one
PubChem CID139189482
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Name(4R)-4-(4-hydroxy-3,5-dimethylphenyl)-6-methyl-3,4-dihydrochromen-2-one
SMILESCc1ccc2c(c1)[C@@H](c1cc(C)c(O)c(C)c1)CC(=O)O2
InChIInChI=1S/C18H18O3/c1-10-4-5-16-15(6-10)14(9-17(19)21-16)13-7-11(2)18(20)12(3)8-13/h4-8,14,20H,9H2,1-3H3/t14-/m1/s1
InChIKeyZULACWZRCBJJSM-CQSZACIVSA-N
XLogP3.76
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(4-hydroxy-3,5-dimethylphenyl)-6-methyl-3,4-dihydrochromen-2-one?
The IUPAC name of (4R)-4-(4-hydroxy-3,5-dimethylphenyl)-6-methyl-3,4-dihydrochromen-2-one (CID 139189482) is (4R)-4-(4-hydroxy-3,5-dimethylphenyl)-6-methyl-3,4-dihydrochromen-2-one.
What is the SMILES notation for (4R)-4-(4-hydroxy-3,5-dimethylphenyl)-6-methyl-3,4-dihydrochromen-2-one?
The canonical SMILES for (4R)-4-(4-hydroxy-3,5-dimethylphenyl)-6-methyl-3,4-dihydrochromen-2-one is Cc1ccc2c(c1)[C@@H](c1cc(C)c(O)c(C)c1)CC(=O)O2.
What is the InChIKey of (4R)-4-(4-hydroxy-3,5-dimethylphenyl)-6-methyl-3,4-dihydrochromen-2-one?
The InChIKey is ZULACWZRCBJJSM-CQSZACIVSA-N. The full InChI is InChI=1S/C18H18O3/c1-10-4-5-16-15(6-10)14(9-17(19)21-16)13-7-11(2)18(20)12(3)8-13/h4-8,14,20H,9H2,1-3H3/t14-/m1/s1.
What are the key properties of (4R)-4-(4-hydroxy-3,5-dimethylphenyl)-6-methyl-3,4-dihydrochromen-2-one?
(4R)-4-(4-hydroxy-3,5-dimethylphenyl)-6-methyl-3,4-dihydrochromen-2-one has a molecular weight of 282.34 g/mol, XLogP of 3.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(4-hydroxy-3,5-dimethylphenyl)-6-methyl-3,4-dihydrochromen-2-one is sourced from PubChem (CID 139189482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).