(5S)-5-[(4-methoxyphenyl)methyl]oxolan-2-one

C12H14O3 — CID 129394807

IUPAC(5S)-5-[(4-methoxyphenyl)methyl]oxolan-2-one
SMILESCOc1ccc(C[C@@H]2CCC(=O)O2)cc1
InChIInChI=1S/C12H14O3/c1-14-10-4-2-9(3-5-10)8-11-6-7-12(13)15-11/h2-5,11H,6-8H2,1H3/t11-/m0/s1
InChIKeyRSMLDVUFWAZZMF-NSHDSACASA-N
MW206.24 g/mol
LogP1.94
Rot. Bonds3

About (5S)-5-[(4-methoxyphenyl)methyl]oxolan-2-one

(5S)-5-[(4-methoxyphenyl)methyl]oxolan-2-one (PubChem CID 129394807) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is (5S)-5-[(4-methoxyphenyl)methyl]oxolan-2-one.

Molecular Properties

Compound Name(5S)-5-[(4-methoxyphenyl)methyl]oxolan-2-one
PubChem CID129394807
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name(5S)-5-[(4-methoxyphenyl)methyl]oxolan-2-one
SMILESCOc1ccc(C[C@@H]2CCC(=O)O2)cc1
InChIInChI=1S/C12H14O3/c1-14-10-4-2-9(3-5-10)8-11-6-7-12(13)15-11/h2-5,11H,6-8H2,1H3/t11-/m0/s1
InChIKeyRSMLDVUFWAZZMF-NSHDSACASA-N
XLogP1.94
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5S)-5-(4-methoxyphenyl)oxolan-2-one
CID 12862881
(5R)-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-2-one
CID 10786507
1-(cyclopropylmethyl)-4-methoxybenzene
CID 6422476
2-[(4-methoxyphenyl)methyl]cyclopentan-1-one
CID 11790327
1-methanidyl-2-[(4-methoxyphenyl)methyl]pyrrolidin-1-ium
CID 123179736
(5R,6R)-5-(4-methoxyphenyl)-6-methyloxan-2-one
CID 15417025
(6R)-6-[(4-methoxyphenyl)methyl]-2,2-dimethyloxan-4-one
CID 102215285
(5E)-5-[[2-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-chromen-6-yl]methylidene]-1,3-thiazolidin-4-one
CID 163859650
(4R)-4-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-2-one
CID 10398104
4-[(4-methoxyphenyl)methyl]oxan-3-one
CID 66825112
(4-methoxyphenyl)methyl (E)-2-methyl-3-[(2R)-5-oxooxolan-2-yl]prop-2-enoate
CID 11055378
(3S)-3-[(4-methoxyphenyl)methyl]piperidine-2,6-dione
CID 92849982

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(4-methoxyphenyl)methyl]oxolan-2-one?
The IUPAC name of (5S)-5-[(4-methoxyphenyl)methyl]oxolan-2-one (CID 129394807) is (5S)-5-[(4-methoxyphenyl)methyl]oxolan-2-one.
What is the SMILES notation for (5S)-5-[(4-methoxyphenyl)methyl]oxolan-2-one?
The canonical SMILES for (5S)-5-[(4-methoxyphenyl)methyl]oxolan-2-one is COc1ccc(C[C@@H]2CCC(=O)O2)cc1.
What is the InChIKey of (5S)-5-[(4-methoxyphenyl)methyl]oxolan-2-one?
The InChIKey is RSMLDVUFWAZZMF-NSHDSACASA-N. The full InChI is InChI=1S/C12H14O3/c1-14-10-4-2-9(3-5-10)8-11-6-7-12(13)15-11/h2-5,11H,6-8H2,1H3/t11-/m0/s1.
What are the key properties of (5S)-5-[(4-methoxyphenyl)methyl]oxolan-2-one?
(5S)-5-[(4-methoxyphenyl)methyl]oxolan-2-one has a molecular weight of 206.24 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(4-methoxyphenyl)methyl]oxolan-2-one is sourced from PubChem (CID 129394807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).