(3S,4S)-3-(4-methoxyphenyl)-4-(3-methoxy-4-phenylmethoxyphenyl)oxolan-2-one

C25H24O5 — CID 177415450

IUPAC(3S,4S)-3-(4-methoxyphenyl)-4-(3-methoxy-4-phenylmethoxyphenyl)oxolan-2-one
SMILESCOc1ccc([C@H]2C(=O)OC[C@@H]2c2ccc(OCc3ccccc3)c(OC)c2)cc1
InChIInChI=1S/C25H24O5/c1-27-20-11-8-18(9-12-20)24-21(16-30-25(24)26)19-10-13-22(23(14-19)28-2)29-15-17-6-4-3-5-7-17/h3-14,21,24H,15-16H2,1-2H3/t21-,24-/m1/s1
InChIKeyICOZCFCPWCJRGC-ZJSXRUAMSA-N
MW404.46 g/mol
LogP4.71
Rot. Bonds7

About (3S,4S)-3-(4-methoxyphenyl)-4-(3-methoxy-4-phenylmethoxyphenyl)oxolan-2-one

(3S,4S)-3-(4-methoxyphenyl)-4-(3-methoxy-4-phenylmethoxyphenyl)oxolan-2-one (PubChem CID 177415450) has the molecular formula C25H24O5 and a molecular weight of 404.46 g/mol. Its IUPAC name is (3S,4S)-3-(4-methoxyphenyl)-4-(3-methoxy-4-phenylmethoxyphenyl)oxolan-2-one.

Molecular Properties

Compound Name(3S,4S)-3-(4-methoxyphenyl)-4-(3-methoxy-4-phenylmethoxyphenyl)oxolan-2-one
PubChem CID177415450
Molecular FormulaC25H24O5
Molecular Weight404.46 g/mol
Exact Mass404.16
IUPAC Name(3S,4S)-3-(4-methoxyphenyl)-4-(3-methoxy-4-phenylmethoxyphenyl)oxolan-2-one
SMILESCOc1ccc([C@H]2C(=O)OC[C@@H]2c2ccc(OCc3ccccc3)c(OC)c2)cc1
InChIInChI=1S/C25H24O5/c1-27-20-11-8-18(9-12-20)24-21(16-30-25(24)26)19-10-13-22(23(14-19)28-2)29-15-17-6-4-3-5-7-17/h3-14,21,24H,15-16H2,1-2H3/t21-,24-/m1/s1
InChIKeyICOZCFCPWCJRGC-ZJSXRUAMSA-N
XLogP4.71
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.46
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3S,4S)-3-(4-methoxyphenyl)-4-(3-methoxy-4-phenylmethoxyphenyl)oxolan-2-one with MolForge

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Related Compounds

2-(3-methoxy-4-phenylmethoxyphenyl)cyclopropane-1-carboxylic acid
CID 82228571
3,4-bis[(3-methoxy-4-phenylmethoxyphenyl)(113C)methyl]oxolan-2-one
CID 158275652
(3S,4S,5S)-5-(3-methoxy-4-phenylmethoxyphenyl)-3,4-dimethyloxolan-2-one
CID 102187851
3-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)-3,4-dihydro-2H-chromene
CID 154305327
3-(4-methoxyphenyl)-4-(3-methoxy-4-phenylmethoxyphenyl)-4,5-dihydro-2H-pyrano[2,3-c]pyrazol-6-one
CID 5302903
3-(4-methoxyphenyl)-4-[4-(quinolin-2-ylmethoxy)phenyl]oxolan-2-one
CID 70234379
methyl (1S,5R,6S)-6-(3-methoxy-4-phenylmethoxyphenyl)-2-oxo-3-oxabicyclo[3.1.0]hexane-1-carboxylate
CID 177491975
2,3-bis(4-methoxy-3-phenylmethoxyphenyl)oxirane
CID 14831922
(3R,4S)-7-methoxy-4-phenyl-6-phenylmethoxy-3,4-dihydro-2H-chromen-3-ol
CID 132544355
(3R)-3-(3-methoxy-4-phenylmethoxyphenyl)morpholine
CID 171192902
4-[(3-methoxy-4-phenylmethoxyphenyl)(113C)methyl]oxolan-2-one
CID 158061300
(3R,4R)-4-[(3-ethoxy-4-methoxyphenyl)methyl]-3-[(3-methoxy-4-phenylmethoxyphenyl)methyl]oxolan-2-one
CID 71575250

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-(4-methoxyphenyl)-4-(3-methoxy-4-phenylmethoxyphenyl)oxolan-2-one?
The IUPAC name of (3S,4S)-3-(4-methoxyphenyl)-4-(3-methoxy-4-phenylmethoxyphenyl)oxolan-2-one (CID 177415450) is (3S,4S)-3-(4-methoxyphenyl)-4-(3-methoxy-4-phenylmethoxyphenyl)oxolan-2-one.
What is the SMILES notation for (3S,4S)-3-(4-methoxyphenyl)-4-(3-methoxy-4-phenylmethoxyphenyl)oxolan-2-one?
The canonical SMILES for (3S,4S)-3-(4-methoxyphenyl)-4-(3-methoxy-4-phenylmethoxyphenyl)oxolan-2-one is COc1ccc([C@H]2C(=O)OC[C@@H]2c2ccc(OCc3ccccc3)c(OC)c2)cc1.
What is the InChIKey of (3S,4S)-3-(4-methoxyphenyl)-4-(3-methoxy-4-phenylmethoxyphenyl)oxolan-2-one?
The InChIKey is ICOZCFCPWCJRGC-ZJSXRUAMSA-N. The full InChI is InChI=1S/C25H24O5/c1-27-20-11-8-18(9-12-20)24-21(16-30-25(24)26)19-10-13-22(23(14-19)28-2)29-15-17-6-4-3-5-7-17/h3-14,21,24H,15-16H2,1-2H3/t21-,24-/m1/s1.
What are the key properties of (3S,4S)-3-(4-methoxyphenyl)-4-(3-methoxy-4-phenylmethoxyphenyl)oxolan-2-one?
(3S,4S)-3-(4-methoxyphenyl)-4-(3-methoxy-4-phenylmethoxyphenyl)oxolan-2-one has a molecular weight of 404.46 g/mol, XLogP of 4.71, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-(4-methoxyphenyl)-4-(3-methoxy-4-phenylmethoxyphenyl)oxolan-2-one is sourced from PubChem (CID 177415450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).