2-(3-methoxyphenyl)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane

C33H34O5 — CID 74036259

IUPAC2-(3-methoxyphenyl)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane
SMILESCOc1cccc(C2OC(COCc3ccccc3)C(OCc3ccccc3)C2OCc2ccccc2)c1
InChIInChI=1S/C33H34O5/c1-34-29-19-11-18-28(20-29)31-33(37-23-27-16-9-4-10-17-27)32(36-22-26-14-7-3-8-15-26)30(38-31)24-35-21-25-12-5-2-6-13-25/h2-20,30-33H,21-24H2,1H3
InChIKeyOLRZAFVHCGNSGG-UHFFFAOYSA-N
MW510.63 g/mol
LogP6.52
Rot. Bonds12

About 2-(3-methoxyphenyl)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane

2-(3-methoxyphenyl)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane (PubChem CID 74036259) has the molecular formula C33H34O5 and a molecular weight of 510.63 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane
PubChem CID74036259
Molecular FormulaC33H34O5
Molecular Weight510.63 g/mol
Exact Mass510.24
IUPAC Name2-(3-methoxyphenyl)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane
SMILESCOc1cccc(C2OC(COCc3ccccc3)C(OCc3ccccc3)C2OCc2ccccc2)c1
InChIInChI=1S/C33H34O5/c1-34-29-19-11-18-28(20-29)31-33(37-23-27-16-9-4-10-17-27)32(36-22-26-14-7-3-8-15-26)30(38-31)24-35-21-25-12-5-2-6-13-25/h2-20,30-33H,21-24H2,1H3
InChIKeyOLRZAFVHCGNSGG-UHFFFAOYSA-N
XLogP6.52
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.63
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3S,4R,5R,6R)-2-phenyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 11422041
(2S,3S,4R,5R,6R)-2-[4-chloro-3-[(4-methoxyphenyl)methyl]phenyl]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 59899439
(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolane
CID 14020682
(2S,3R,4R,5R)-2-phenyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-amine
CID 171557955
(2R,3R,4R,5R,6R)-2-(3-chloro-5-methylphenyl)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 150893456
(2R,3R,4R,5S,6S)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-[3-(trifluoromethylsulfonyl)phenyl]oxane
CID 69471769
(2S,3R,4S,5R,6R)-3-[(4-methoxyphenyl)methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol
CID 171125035
(2S,3R,4S,5S,6R)-2-fluoro-4-[(4-methoxyphenyl)methoxy]-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 10951949
[4-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]phenyl]methanol
CID 23572743
(2R,3R,4S,5R,6R)-2-[[(2R,3S,4S,5R,6R)-3-[(4-methoxyphenyl)methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]-3,4,5,6-tetrakis(phenylmethoxy)oxane
CID 10887663
(2S,3S,4R,5R)-2-[2,4-bis(phenylmethoxy)phenyl]-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane
CID 10604679
4,5-dimethoxy-2-[(2S,5R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]phenol
CID 134832818

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane?
The IUPAC name of 2-(3-methoxyphenyl)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane (CID 74036259) is 2-(3-methoxyphenyl)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane.
What is the SMILES notation for 2-(3-methoxyphenyl)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane?
The canonical SMILES for 2-(3-methoxyphenyl)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane is COc1cccc(C2OC(COCc3ccccc3)C(OCc3ccccc3)C2OCc2ccccc2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane?
The InChIKey is OLRZAFVHCGNSGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34O5/c1-34-29-19-11-18-28(20-29)31-33(37-23-27-16-9-4-10-17-27)32(36-22-26-14-7-3-8-15-26)30(38-31)24-35-21-25-12-5-2-6-13-25/h2-20,30-33H,21-24H2,1H3.
What are the key properties of 2-(3-methoxyphenyl)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane?
2-(3-methoxyphenyl)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane has a molecular weight of 510.63 g/mol, XLogP of 6.52, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane is sourced from PubChem (CID 74036259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).