(4R)-4-(2-methoxyphenyl)oxan-2-one

C12H14O3 — CID 102162609

IUPAC(4R)-4-(2-methoxyphenyl)oxan-2-one
SMILESCOc1ccccc1[C@@H]1CCOC(=O)C1
InChIInChI=1S/C12H14O3/c1-14-11-5-3-2-4-10(11)9-6-7-15-12(13)8-9/h2-5,9H,6-8H2,1H3/t9-/m1/s1
InChIKeySIZYCRUKJBUDBS-SECBINFHSA-N
MW206.24 g/mol
LogP2.12
Rot. Bonds2

About (4R)-4-(2-methoxyphenyl)oxan-2-one

(4R)-4-(2-methoxyphenyl)oxan-2-one (PubChem CID 102162609) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is (4R)-4-(2-methoxyphenyl)oxan-2-one.

Molecular Properties

Compound Name(4R)-4-(2-methoxyphenyl)oxan-2-one
PubChem CID102162609
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name(4R)-4-(2-methoxyphenyl)oxan-2-one
SMILESCOc1ccccc1[C@@H]1CCOC(=O)C1
InChIInChI=1S/C12H14O3/c1-14-11-5-3-2-4-10(11)9-6-7-15-12(13)8-9/h2-5,9H,6-8H2,1H3/t9-/m1/s1
InChIKeySIZYCRUKJBUDBS-SECBINFHSA-N
XLogP2.12
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-4-(2-methoxyphenyl)oxolan-2-one
CID 125041277
4-(2-methoxyphenyl)oxane
CID 121009799
1-cyclopropyl-2-methoxybenzene;ethane
CID 144769798
(4S)-4-(2-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185520
(5S)-5-(2-methoxyphenyl)oxolan-2-one
CID 10750262
(4R)-4-(2-methoxyphenyl)pyrrolidin-2-one
CID 15895393
4-(2-methoxyphenyl)piperidine
CID 544738
(5R)-5-(2-methoxyphenyl)imidazolidine-2,4-dione
CID 94255380
ethene;(5R)-5-(2-methoxyphenyl)oxolan-2-one
CID 163229025
5-(2-methoxyphenyl)-3-oxocyclohexen-1-olate
CID 134109694
1-(3-ethylidenecyclohexyl)-2-methoxybenzene
CID 174536484
2,5-bis(2-methoxyphenyl)-1-methylphospholane
CID 90111468

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2-methoxyphenyl)oxan-2-one?
The IUPAC name of (4R)-4-(2-methoxyphenyl)oxan-2-one (CID 102162609) is (4R)-4-(2-methoxyphenyl)oxan-2-one.
What is the SMILES notation for (4R)-4-(2-methoxyphenyl)oxan-2-one?
The canonical SMILES for (4R)-4-(2-methoxyphenyl)oxan-2-one is COc1ccccc1[C@@H]1CCOC(=O)C1.
What is the InChIKey of (4R)-4-(2-methoxyphenyl)oxan-2-one?
The InChIKey is SIZYCRUKJBUDBS-SECBINFHSA-N. The full InChI is InChI=1S/C12H14O3/c1-14-11-5-3-2-4-10(11)9-6-7-15-12(13)8-9/h2-5,9H,6-8H2,1H3/t9-/m1/s1.
What are the key properties of (4R)-4-(2-methoxyphenyl)oxan-2-one?
(4R)-4-(2-methoxyphenyl)oxan-2-one has a molecular weight of 206.24 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2-methoxyphenyl)oxan-2-one is sourced from PubChem (CID 102162609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).