(4R,5S,7R,7aR)-7a-hydroxy-4,5,7-trimethyl-3,7-diphenyl-4,5-dihydrofuro[2,3-c]pyran-2-one

C22H22O4 — CID 11337057

IUPAC(4R,5S,7R,7aR)-7a-hydroxy-4,5,7-trimethyl-3,7-diphenyl-4,5-dihydrofuro[2,3-c]pyran-2-one
SMILESC[C@@H]1O[C@](C)(c2ccccc2)[C@]2(O)OC(=O)C(c3ccccc3)=C2[C@H]1C
InChIInChI=1S/C22H22O4/c1-14-15(2)25-21(3,17-12-8-5-9-13-17)22(24)19(14)18(20(23)26-22)16-10-6-4-7-11-16/h4-15,24H,1-3H3/t14-,15-,21+,22+/m0/s1
InChIKeyBTLYQLJGPWPXSO-ZYNNUQKQSA-N
MW350.41 g/mol
LogP3.66
Rot. Bonds2

About (4R,5S,7R,7aR)-7a-hydroxy-4,5,7-trimethyl-3,7-diphenyl-4,5-dihydrofuro[2,3-c]pyran-2-one

(4R,5S,7R,7aR)-7a-hydroxy-4,5,7-trimethyl-3,7-diphenyl-4,5-dihydrofuro[2,3-c]pyran-2-one (PubChem CID 11337057) has the molecular formula C22H22O4 and a molecular weight of 350.41 g/mol. Its IUPAC name is (4R,5S,7R,7aR)-7a-hydroxy-4,5,7-trimethyl-3,7-diphenyl-4,5-dihydrofuro[2,3-c]pyran-2-one.

Molecular Properties

Compound Name(4R,5S,7R,7aR)-7a-hydroxy-4,5,7-trimethyl-3,7-diphenyl-4,5-dihydrofuro[2,3-c]pyran-2-one
PubChem CID11337057
Molecular FormulaC22H22O4
Molecular Weight350.41 g/mol
Exact Mass350.15
IUPAC Name(4R,5S,7R,7aR)-7a-hydroxy-4,5,7-trimethyl-3,7-diphenyl-4,5-dihydrofuro[2,3-c]pyran-2-one
SMILESC[C@@H]1O[C@](C)(c2ccccc2)[C@]2(O)OC(=O)C(c3ccccc3)=C2[C@H]1C
InChIInChI=1S/C22H22O4/c1-14-15(2)25-21(3,17-12-8-5-9-13-17)22(24)19(14)18(20(23)26-22)16-10-6-4-7-11-16/h4-15,24H,1-3H3/t14-,15-,21+,22+/m0/s1
InChIKeyBTLYQLJGPWPXSO-ZYNNUQKQSA-N
XLogP3.66
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.41
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R,5S,7R,7aR)-7a-hydroxy-4,5,7-trimethyl-3,7-diphenyl-4,5-dihydrofuro[2,3-c]pyran-2-one?
The IUPAC name of (4R,5S,7R,7aR)-7a-hydroxy-4,5,7-trimethyl-3,7-diphenyl-4,5-dihydrofuro[2,3-c]pyran-2-one (CID 11337057) is (4R,5S,7R,7aR)-7a-hydroxy-4,5,7-trimethyl-3,7-diphenyl-4,5-dihydrofuro[2,3-c]pyran-2-one.
What is the SMILES notation for (4R,5S,7R,7aR)-7a-hydroxy-4,5,7-trimethyl-3,7-diphenyl-4,5-dihydrofuro[2,3-c]pyran-2-one?
The canonical SMILES for (4R,5S,7R,7aR)-7a-hydroxy-4,5,7-trimethyl-3,7-diphenyl-4,5-dihydrofuro[2,3-c]pyran-2-one is C[C@@H]1O[C@](C)(c2ccccc2)[C@]2(O)OC(=O)C(c3ccccc3)=C2[C@H]1C.
What is the InChIKey of (4R,5S,7R,7aR)-7a-hydroxy-4,5,7-trimethyl-3,7-diphenyl-4,5-dihydrofuro[2,3-c]pyran-2-one?
The InChIKey is BTLYQLJGPWPXSO-ZYNNUQKQSA-N. The full InChI is InChI=1S/C22H22O4/c1-14-15(2)25-21(3,17-12-8-5-9-13-17)22(24)19(14)18(20(23)26-22)16-10-6-4-7-11-16/h4-15,24H,1-3H3/t14-,15-,21+,22+/m0/s1.
What are the key properties of (4R,5S,7R,7aR)-7a-hydroxy-4,5,7-trimethyl-3,7-diphenyl-4,5-dihydrofuro[2,3-c]pyran-2-one?
(4R,5S,7R,7aR)-7a-hydroxy-4,5,7-trimethyl-3,7-diphenyl-4,5-dihydrofuro[2,3-c]pyran-2-one has a molecular weight of 350.41 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S,7R,7aR)-7a-hydroxy-4,5,7-trimethyl-3,7-diphenyl-4,5-dihydrofuro[2,3-c]pyran-2-one is sourced from PubChem (CID 11337057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).