(4S)-5,5-bis(4-methoxyphenyl)-4-methyloxolan-2-one

C19H20O4 — CID 102142146

IUPAC(4S)-5,5-bis(4-methoxyphenyl)-4-methyloxolan-2-one
SMILESCOc1ccc(C2(c3ccc(OC)cc3)OC(=O)C[C@@H]2C)cc1
InChIInChI=1S/C19H20O4/c1-13-12-18(20)23-19(13,14-4-8-16(21-2)9-5-14)15-6-10-17(22-3)11-7-15/h4-11,13H,12H2,1-3H3/t13-/m0/s1
InChIKeyYBHSAKZOAUNZMG-ZDUSSCGKSA-N
MW312.37 g/mol
LogP3.53
Rot. Bonds4

About (4S)-5,5-bis(4-methoxyphenyl)-4-methyloxolan-2-one

(4S)-5,5-bis(4-methoxyphenyl)-4-methyloxolan-2-one (PubChem CID 102142146) has the molecular formula C19H20O4 and a molecular weight of 312.37 g/mol. Its IUPAC name is (4S)-5,5-bis(4-methoxyphenyl)-4-methyloxolan-2-one.

Molecular Properties

Compound Name(4S)-5,5-bis(4-methoxyphenyl)-4-methyloxolan-2-one
PubChem CID102142146
Molecular FormulaC19H20O4
Molecular Weight312.37 g/mol
Exact Mass312.14
IUPAC Name(4S)-5,5-bis(4-methoxyphenyl)-4-methyloxolan-2-one
SMILESCOc1ccc(C2(c3ccc(OC)cc3)OC(=O)C[C@@H]2C)cc1
InChIInChI=1S/C19H20O4/c1-13-12-18(20)23-19(13,14-4-8-16(21-2)9-5-14)15-6-10-17(22-3)11-7-15/h4-11,13H,12H2,1-3H3/t13-/m0/s1
InChIKeyYBHSAKZOAUNZMG-ZDUSSCGKSA-N
XLogP3.53
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R)-2-(4-methoxyphenyl)-2,3-dimethyl-5-oxooxolane-3-carboxylate
CID 102364682
1-methoxy-4-[1-(4-methoxyphenyl)-2-methylidenecyclopropyl]benzene
CID 13355231
7-(4-methoxyphenyl)-5-methyl-1-(4-nitrophenyl)-8-oxabicyclo[3.2.1]octan-2-one
CID 101173888
2-(4-methoxyphenyl)-2-methyl-3-oxido-1,3-oxazol-3-ium-5-one
CID 10242609
3-chloro-4-iodo-5-(4-methoxyphenyl)-5-methylfuran-2-one
CID 139257513
(4S,5S)-4-(4-methoxyphenyl)-5-phenyl-5-(trifluoromethyl)oxolan-2-one
CID 102284704
2-ethyl-3-(4-methoxyphenyl)-2-methylcyclobutan-1-one
CID 81416060
(1R,5S)-1-(4-methoxyphenyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 12719822
5-(4-methoxyphenyl)-5-methylpiperazine-2,3-dione
CID 116856095
6-(4-methoxyphenyl)-7,8-dithia-1,4-diazabicyclo[4.2.0]octane-3,5-dione
CID 90205453
(6S)-6-(bromomethyl)-6-(4-methoxyphenyl)oxan-2-one
CID 102342730
5-ethyl-5-(4-methoxyphenyl)-1,3-oxazolidine-2,4-dione
CID 82098506

Frequently Asked Questions

What is the IUPAC name of (4S)-5,5-bis(4-methoxyphenyl)-4-methyloxolan-2-one?
The IUPAC name of (4S)-5,5-bis(4-methoxyphenyl)-4-methyloxolan-2-one (CID 102142146) is (4S)-5,5-bis(4-methoxyphenyl)-4-methyloxolan-2-one.
What is the SMILES notation for (4S)-5,5-bis(4-methoxyphenyl)-4-methyloxolan-2-one?
The canonical SMILES for (4S)-5,5-bis(4-methoxyphenyl)-4-methyloxolan-2-one is COc1ccc(C2(c3ccc(OC)cc3)OC(=O)C[C@@H]2C)cc1.
What is the InChIKey of (4S)-5,5-bis(4-methoxyphenyl)-4-methyloxolan-2-one?
The InChIKey is YBHSAKZOAUNZMG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H20O4/c1-13-12-18(20)23-19(13,14-4-8-16(21-2)9-5-14)15-6-10-17(22-3)11-7-15/h4-11,13H,12H2,1-3H3/t13-/m0/s1.
What are the key properties of (4S)-5,5-bis(4-methoxyphenyl)-4-methyloxolan-2-one?
(4S)-5,5-bis(4-methoxyphenyl)-4-methyloxolan-2-one has a molecular weight of 312.37 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-5,5-bis(4-methoxyphenyl)-4-methyloxolan-2-one is sourced from PubChem (CID 102142146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).