(2R,5R)-2,5-bis(3,4,5-trimethoxyphenyl)oxolane

C22H28O7 — CID 6917920

IUPAC(2R,5R)-2,5-bis(3,4,5-trimethoxyphenyl)oxolane
SMILESCOc1cc([C@H]2CC[C@H](c3cc(OC)c(OC)c(OC)c3)O2)cc(OC)c1OC
InChIInChI=1S/C22H28O7/c1-23-17-9-13(10-18(24-2)21(17)27-5)15-7-8-16(29-15)14-11-19(25-3)22(28-6)20(12-14)26-4/h9-12,15-16H,7-8H2,1-6H3/t15-,16-/m1/s1
InChIKeyYCCPYTPBHUIHGW-HZPDHXFCSA-N
MW404.46 g/mol
LogP4.33
Rot. Bonds8

About (2R,5R)-2,5-bis(3,4,5-trimethoxyphenyl)oxolane

(2R,5R)-2,5-bis(3,4,5-trimethoxyphenyl)oxolane (PubChem CID 6917920) has the molecular formula C22H28O7 and a molecular weight of 404.46 g/mol. Its IUPAC name is (2R,5R)-2,5-bis(3,4,5-trimethoxyphenyl)oxolane.

Molecular Properties

Compound Name(2R,5R)-2,5-bis(3,4,5-trimethoxyphenyl)oxolane
PubChem CID6917920
Molecular FormulaC22H28O7
Molecular Weight404.46 g/mol
Exact Mass404.18
IUPAC Name(2R,5R)-2,5-bis(3,4,5-trimethoxyphenyl)oxolane
SMILESCOc1cc([C@H]2CC[C@H](c3cc(OC)c(OC)c(OC)c3)O2)cc(OC)c1OC
InChIInChI=1S/C22H28O7/c1-23-17-9-13(10-18(24-2)21(17)27-5)15-7-8-16(29-15)14-11-19(25-3)22(28-6)20(12-14)26-4/h9-12,15-16H,7-8H2,1-6H3/t15-,16-/m1/s1
InChIKeyYCCPYTPBHUIHGW-HZPDHXFCSA-N
XLogP4.33
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.46
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R,5R)-2,5-bis(3,4,5-trimethoxyphenyl)oxolane?
The IUPAC name of (2R,5R)-2,5-bis(3,4,5-trimethoxyphenyl)oxolane (CID 6917920) is (2R,5R)-2,5-bis(3,4,5-trimethoxyphenyl)oxolane.
What is the SMILES notation for (2R,5R)-2,5-bis(3,4,5-trimethoxyphenyl)oxolane?
The canonical SMILES for (2R,5R)-2,5-bis(3,4,5-trimethoxyphenyl)oxolane is COc1cc([C@H]2CC[C@H](c3cc(OC)c(OC)c(OC)c3)O2)cc(OC)c1OC.
What is the InChIKey of (2R,5R)-2,5-bis(3,4,5-trimethoxyphenyl)oxolane?
The InChIKey is YCCPYTPBHUIHGW-HZPDHXFCSA-N. The full InChI is InChI=1S/C22H28O7/c1-23-17-9-13(10-18(24-2)21(17)27-5)15-7-8-16(29-15)14-11-19(25-3)22(28-6)20(12-14)26-4/h9-12,15-16H,7-8H2,1-6H3/t15-,16-/m1/s1.
What are the key properties of (2R,5R)-2,5-bis(3,4,5-trimethoxyphenyl)oxolane?
(2R,5R)-2,5-bis(3,4,5-trimethoxyphenyl)oxolane has a molecular weight of 404.46 g/mol, XLogP of 4.33, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-2,5-bis(3,4,5-trimethoxyphenyl)oxolane is sourced from PubChem (CID 6917920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).