(3S,4S,5S)-5-(3-methoxy-4-phenylmethoxyphenyl)-3,4-dimethyloxolan-2-one

C20H22O4 — CID 102187851

IUPAC(3S,4S,5S)-5-(3-methoxy-4-phenylmethoxyphenyl)-3,4-dimethyloxolan-2-one
SMILESCOc1cc([C@H]2OC(=O)[C@@H](C)[C@@H]2C)ccc1OCc1ccccc1
InChIInChI=1S/C20H22O4/c1-13-14(2)20(21)24-19(13)16-9-10-17(18(11-16)22-3)23-12-15-7-5-4-6-8-15/h4-11,13-14,19H,12H2,1-3H3/t13-,14-,19-/m0/s1
InChIKeyJRVRJBDUHYSRPD-NJSLBKSFSA-N
MW326.39 g/mol
LogP4.14
Rot. Bonds5

About (3S,4S,5S)-5-(3-methoxy-4-phenylmethoxyphenyl)-3,4-dimethyloxolan-2-one

(3S,4S,5S)-5-(3-methoxy-4-phenylmethoxyphenyl)-3,4-dimethyloxolan-2-one (PubChem CID 102187851) has the molecular formula C20H22O4 and a molecular weight of 326.39 g/mol. Its IUPAC name is (3S,4S,5S)-5-(3-methoxy-4-phenylmethoxyphenyl)-3,4-dimethyloxolan-2-one.

Molecular Properties

Compound Name(3S,4S,5S)-5-(3-methoxy-4-phenylmethoxyphenyl)-3,4-dimethyloxolan-2-one
PubChem CID102187851
Molecular FormulaC20H22O4
Molecular Weight326.39 g/mol
Exact Mass326.15
IUPAC Name(3S,4S,5S)-5-(3-methoxy-4-phenylmethoxyphenyl)-3,4-dimethyloxolan-2-one
SMILESCOc1cc([C@H]2OC(=O)[C@@H](C)[C@@H]2C)ccc1OCc1ccccc1
InChIInChI=1S/C20H22O4/c1-13-14(2)20(21)24-19(13)16-9-10-17(18(11-16)22-3)23-12-15-7-5-4-6-8-15/h4-11,13-14,19H,12H2,1-3H3/t13-,14-,19-/m0/s1
InChIKeyJRVRJBDUHYSRPD-NJSLBKSFSA-N
XLogP4.14
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3S,4S,5S)-5-(3-methoxy-4-phenylmethoxyphenyl)-3,4-dimethyloxolan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-bis(4-methoxy-3-phenylmethoxyphenyl)oxirane
CID 14831922
2-(3-methoxy-4-phenylmethoxyphenyl)cyclopropane-1-carboxylic acid
CID 82228571
(3S,4S)-3-(4-methoxyphenyl)-4-(3-methoxy-4-phenylmethoxyphenyl)oxolan-2-one
CID 177415450
3-methoxy-4-phenylmethoxyaniline
CID 27226
methyl (3S,4R,5R)-5-(3,4-dimethoxyphenyl)-4-methyl-2-oxooxolane-3-carboxylate
CID 10637526
[(2S,3R)-3-(3,4-dimethoxyphenyl)oxiran-2-yl]-(2-phenylmethoxyphenyl)methanone
CID 7036135
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]cyclopropanecarboxamide
CID 9325326
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]butanamide
CID 27865842
(3R)-3-(3-methoxy-4-phenylmethoxyphenyl)morpholine
CID 171192902
3,4-bis[(3-methoxy-4-phenylmethoxyphenyl)(113C)methyl]oxolan-2-one
CID 158275652
3-methoxy-4-phenylmethoxybenzaldehyde
CID 161042191
(2S)-2-(3-methoxy-4-phenylmethoxyphenyl)-3-nitro-2H-chromene
CID 1102751

Frequently Asked Questions

What is the IUPAC name of (3S,4S,5S)-5-(3-methoxy-4-phenylmethoxyphenyl)-3,4-dimethyloxolan-2-one?
The IUPAC name of (3S,4S,5S)-5-(3-methoxy-4-phenylmethoxyphenyl)-3,4-dimethyloxolan-2-one (CID 102187851) is (3S,4S,5S)-5-(3-methoxy-4-phenylmethoxyphenyl)-3,4-dimethyloxolan-2-one.
What is the SMILES notation for (3S,4S,5S)-5-(3-methoxy-4-phenylmethoxyphenyl)-3,4-dimethyloxolan-2-one?
The canonical SMILES for (3S,4S,5S)-5-(3-methoxy-4-phenylmethoxyphenyl)-3,4-dimethyloxolan-2-one is COc1cc([C@H]2OC(=O)[C@@H](C)[C@@H]2C)ccc1OCc1ccccc1.
What is the InChIKey of (3S,4S,5S)-5-(3-methoxy-4-phenylmethoxyphenyl)-3,4-dimethyloxolan-2-one?
The InChIKey is JRVRJBDUHYSRPD-NJSLBKSFSA-N. The full InChI is InChI=1S/C20H22O4/c1-13-14(2)20(21)24-19(13)16-9-10-17(18(11-16)22-3)23-12-15-7-5-4-6-8-15/h4-11,13-14,19H,12H2,1-3H3/t13-,14-,19-/m0/s1.
What are the key properties of (3S,4S,5S)-5-(3-methoxy-4-phenylmethoxyphenyl)-3,4-dimethyloxolan-2-one?
(3S,4S,5S)-5-(3-methoxy-4-phenylmethoxyphenyl)-3,4-dimethyloxolan-2-one has a molecular weight of 326.39 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,5S)-5-(3-methoxy-4-phenylmethoxyphenyl)-3,4-dimethyloxolan-2-one is sourced from PubChem (CID 102187851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).