6-[(2R)-2-hydroxy-2-(3-methylphenyl)ethyl]-2,2-dimethyl-1,3-dioxin-4-one

C15H18O4 — CID 102218337

IUPAC6-[(2R)-2-hydroxy-2-(3-methylphenyl)ethyl]-2,2-dimethyl-1,3-dioxin-4-one
SMILESCc1cccc([C@H](O)CC2=CC(=O)OC(C)(C)O2)c1
InChIInChI=1S/C15H18O4/c1-10-5-4-6-11(7-10)13(16)8-12-9-14(17)19-15(2,3)18-12/h4-7,9,13,16H,8H2,1-3H3/t13-/m1/s1
InChIKeyGKOQZBKLYGTQHS-CYBMUJFWSA-N
MW262.31 g/mol
LogP2.61
Rot. Bonds3

About 6-[(2R)-2-hydroxy-2-(3-methylphenyl)ethyl]-2,2-dimethyl-1,3-dioxin-4-one

6-[(2R)-2-hydroxy-2-(3-methylphenyl)ethyl]-2,2-dimethyl-1,3-dioxin-4-one (PubChem CID 102218337) has the molecular formula C15H18O4 and a molecular weight of 262.31 g/mol. Its IUPAC name is 6-[(2R)-2-hydroxy-2-(3-methylphenyl)ethyl]-2,2-dimethyl-1,3-dioxin-4-one.

Molecular Properties

Compound Name6-[(2R)-2-hydroxy-2-(3-methylphenyl)ethyl]-2,2-dimethyl-1,3-dioxin-4-one
PubChem CID102218337
Molecular FormulaC15H18O4
Molecular Weight262.31 g/mol
Exact Mass262.12
IUPAC Name6-[(2R)-2-hydroxy-2-(3-methylphenyl)ethyl]-2,2-dimethyl-1,3-dioxin-4-one
SMILESCc1cccc([C@H](O)CC2=CC(=O)OC(C)(C)O2)c1
InChIInChI=1S/C15H18O4/c1-10-5-4-6-11(7-10)13(16)8-12-9-14(17)19-15(2,3)18-12/h4-7,9,13,16H,8H2,1-3H3/t13-/m1/s1
InChIKeyGKOQZBKLYGTQHS-CYBMUJFWSA-N
XLogP2.61
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(2S)-2-hydroxyhexyl]-2,2-dimethyl-1,3-dioxin-4-one
CID 10421304
6-(2-ethenoxy-2-phenylethyl)-2,2-dimethyl-1,3-dioxin-4-one
CID 10978671
2-(furan-3-yl)-1-(3-methylphenyl)ethanol
CID 83171478
6-(2-hydroxy-3-phenylmethoxypropyl)-2,2-dimethyl-1,3-dioxin-4-one
CID 15062403
(3R)-3-hydroxy-3-(3-methylphenyl)propanoic acid
CID 11708164
4-hydroxy-4-(3-methylphenyl)butan-2-one
CID 14268468
2,2-dimethyl-6-[(2S)-2-methylbut-3-enyl]-1,3-dioxin-4-one
CID 134966591
6-[(2R,3S)-2-hydroxy-3-methylhex-5-enyl]-2,2-dimethyl-1,3-dioxin-4-one
CID 11402205
6-[(2R)-2-hydroxy-2-phenylethyl]-2,2,5-trimethyl-1,3-dioxin-4-one
CID 101353722
2-(5-bromothiophen-2-yl)-1-(3-methylphenyl)ethanol
CID 62606126
6-but-3-enyl-2,2-dimethyl-1,3-dioxin-4-one
CID 11506561
1,3-bis(3-methylphenyl)propan-1-ol
CID 105077889

Frequently Asked Questions

What is the IUPAC name of 6-[(2R)-2-hydroxy-2-(3-methylphenyl)ethyl]-2,2-dimethyl-1,3-dioxin-4-one?
The IUPAC name of 6-[(2R)-2-hydroxy-2-(3-methylphenyl)ethyl]-2,2-dimethyl-1,3-dioxin-4-one (CID 102218337) is 6-[(2R)-2-hydroxy-2-(3-methylphenyl)ethyl]-2,2-dimethyl-1,3-dioxin-4-one.
What is the SMILES notation for 6-[(2R)-2-hydroxy-2-(3-methylphenyl)ethyl]-2,2-dimethyl-1,3-dioxin-4-one?
The canonical SMILES for 6-[(2R)-2-hydroxy-2-(3-methylphenyl)ethyl]-2,2-dimethyl-1,3-dioxin-4-one is Cc1cccc([C@H](O)CC2=CC(=O)OC(C)(C)O2)c1.
What is the InChIKey of 6-[(2R)-2-hydroxy-2-(3-methylphenyl)ethyl]-2,2-dimethyl-1,3-dioxin-4-one?
The InChIKey is GKOQZBKLYGTQHS-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H18O4/c1-10-5-4-6-11(7-10)13(16)8-12-9-14(17)19-15(2,3)18-12/h4-7,9,13,16H,8H2,1-3H3/t13-/m1/s1.
What are the key properties of 6-[(2R)-2-hydroxy-2-(3-methylphenyl)ethyl]-2,2-dimethyl-1,3-dioxin-4-one?
6-[(2R)-2-hydroxy-2-(3-methylphenyl)ethyl]-2,2-dimethyl-1,3-dioxin-4-one has a molecular weight of 262.31 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R)-2-hydroxy-2-(3-methylphenyl)ethyl]-2,2-dimethyl-1,3-dioxin-4-one is sourced from PubChem (CID 102218337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).