(6R)-6-[(4-methoxyphenyl)methyl]-2,2-dimethyloxan-4-one

C15H20O3 — CID 102215285

IUPAC(6R)-6-[(4-methoxyphenyl)methyl]-2,2-dimethyloxan-4-one
SMILESCOc1ccc(C[C@@H]2CC(=O)CC(C)(C)O2)cc1
InChIInChI=1S/C15H20O3/c1-15(2)10-12(16)9-14(18-15)8-11-4-6-13(17-3)7-5-11/h4-7,14H,8-10H2,1-3H3/t14-/m1/s1
InChIKeyPDKYHIMFDRDQGV-CQSZACIVSA-N
MW248.32 g/mol
LogP2.76
Rot. Bonds3

About (6R)-6-[(4-methoxyphenyl)methyl]-2,2-dimethyloxan-4-one

(6R)-6-[(4-methoxyphenyl)methyl]-2,2-dimethyloxan-4-one (PubChem CID 102215285) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is (6R)-6-[(4-methoxyphenyl)methyl]-2,2-dimethyloxan-4-one.

Molecular Properties

Compound Name(6R)-6-[(4-methoxyphenyl)methyl]-2,2-dimethyloxan-4-one
PubChem CID102215285
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name(6R)-6-[(4-methoxyphenyl)methyl]-2,2-dimethyloxan-4-one
SMILESCOc1ccc(C[C@@H]2CC(=O)CC(C)(C)O2)cc1
InChIInChI=1S/C15H20O3/c1-15(2)10-12(16)9-14(18-15)8-11-4-6-13(17-3)7-5-11/h4-7,14H,8-10H2,1-3H3/t14-/m1/s1
InChIKeyPDKYHIMFDRDQGV-CQSZACIVSA-N
XLogP2.76
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5S)-5-[(4-methoxyphenyl)methyl]oxolan-2-one
CID 129394807
2-[(4-methoxyphenyl)methyl]-1,4,7,10,13-pentaoxacyclopentadecane
CID 102057404
(5S)-5-[(4-methoxyphenyl)methyl]morpholin-3-one
CID 166471827
(4R)-4-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-2-one
CID 10398104
(3S)-3-[(4-methoxyphenyl)methyl]piperidine-2,6-dione
CID 92849982
(5R)-3-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole
CID 71562212
1-(cyclopropylmethyl)-4-methoxybenzene
CID 6422476
(2R)-4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2-[(4-methoxyphenyl)methoxymethyl]-2,3-dihydropyran-6-one
CID 139249873
(5S)-3-(4-chlorophenyl)-5-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole
CID 71562323
2-[(4-methoxyphenyl)methyl]-3,3-dimethylpiperidin-4-one;hydrochloride
CID 21448625
2-[(4-methoxyphenyl)methyl]-1,3,3-trimethyl-2H-pyridin-4-one
CID 16726138
4-[(4-methoxyphenyl)methyl]oxan-3-one
CID 66825112

Frequently Asked Questions

What is the IUPAC name of (6R)-6-[(4-methoxyphenyl)methyl]-2,2-dimethyloxan-4-one?
The IUPAC name of (6R)-6-[(4-methoxyphenyl)methyl]-2,2-dimethyloxan-4-one (CID 102215285) is (6R)-6-[(4-methoxyphenyl)methyl]-2,2-dimethyloxan-4-one.
What is the SMILES notation for (6R)-6-[(4-methoxyphenyl)methyl]-2,2-dimethyloxan-4-one?
The canonical SMILES for (6R)-6-[(4-methoxyphenyl)methyl]-2,2-dimethyloxan-4-one is COc1ccc(C[C@@H]2CC(=O)CC(C)(C)O2)cc1.
What is the InChIKey of (6R)-6-[(4-methoxyphenyl)methyl]-2,2-dimethyloxan-4-one?
The InChIKey is PDKYHIMFDRDQGV-CQSZACIVSA-N. The full InChI is InChI=1S/C15H20O3/c1-15(2)10-12(16)9-14(18-15)8-11-4-6-13(17-3)7-5-11/h4-7,14H,8-10H2,1-3H3/t14-/m1/s1.
What are the key properties of (6R)-6-[(4-methoxyphenyl)methyl]-2,2-dimethyloxan-4-one?
(6R)-6-[(4-methoxyphenyl)methyl]-2,2-dimethyloxan-4-one has a molecular weight of 248.32 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-[(4-methoxyphenyl)methyl]-2,2-dimethyloxan-4-one is sourced from PubChem (CID 102215285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).