(2R)-6-[[4-[(E)-3-(2-methoxyphenyl)prop-1-enyl]phenyl]methoxy]-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromene

C46H66O3 — CID 146164811

IUPAC(2R)-6-[[4-[(E)-3-(2-methoxyphenyl)prop-1-enyl]phenyl]methoxy]-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromene
SMILESCOc1ccccc1C/C=C/c1ccc(COc2c(C)c(C)c3c(c2C)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O3)cc1
InChIInChI=1S/C46H66O3/c1-33(2)16-12-17-34(3)18-13-19-35(4)20-15-30-46(8)31-29-42-38(7)44(36(5)37(6)45(42)49-46)48-32-40-27-25-39(26-28-40)21-14-23-41-22-10-11-24-43(41)47-9/h10-11,14,21-22,24-28,33-35H,12-13,15-20,23,29-32H2,1-9H3/b21-14+/t34-,35-,46-/m1/s1
InChIKeyHXMOBZBZJKHOFK-ZATLGYSUSA-N
MW667.03 g/mol
LogP12.98
Rot. Bonds19

About (2R)-6-[[4-[(E)-3-(2-methoxyphenyl)prop-1-enyl]phenyl]methoxy]-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromene

(2R)-6-[[4-[(E)-3-(2-methoxyphenyl)prop-1-enyl]phenyl]methoxy]-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromene (PubChem CID 146164811) has the molecular formula C46H66O3 and a molecular weight of 667.03 g/mol. Its IUPAC name is (2R)-6-[[4-[(E)-3-(2-methoxyphenyl)prop-1-enyl]phenyl]methoxy]-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromene.

Molecular Properties

Compound Name(2R)-6-[[4-[(E)-3-(2-methoxyphenyl)prop-1-enyl]phenyl]methoxy]-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromene
PubChem CID146164811
Molecular FormulaC46H66O3
Molecular Weight667.03 g/mol
Exact Mass666.50
IUPAC Name(2R)-6-[[4-[(E)-3-(2-methoxyphenyl)prop-1-enyl]phenyl]methoxy]-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromene
SMILESCOc1ccccc1C/C=C/c1ccc(COc2c(C)c(C)c3c(c2C)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O3)cc1
InChIInChI=1S/C46H66O3/c1-33(2)16-12-17-34(3)18-13-19-35(4)20-15-30-46(8)31-29-42-38(7)44(36(5)37(6)45(42)49-46)48-32-40-27-25-39(26-28-40)21-14-23-41-22-10-11-24-43(41)47-9/h10-11,14,21-22,24-28,33-35H,12-13,15-20,23,29-32H2,1-9H3/b21-14+/t34-,35-,46-/m1/s1
InChIKeyHXMOBZBZJKHOFK-ZATLGYSUSA-N
XLogP12.98
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.03
LogP ≤ 512.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2R)-6-[[4-[(E)-3-(2-methoxyphenyl)prop-1-enyl]phenyl]methoxy]-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-6-[[4-[(E)-3-(2-methoxyphenyl)prop-1-enyl]phenyl]methoxy]-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromene?
The IUPAC name of (2R)-6-[[4-[(E)-3-(2-methoxyphenyl)prop-1-enyl]phenyl]methoxy]-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromene (CID 146164811) is (2R)-6-[[4-[(E)-3-(2-methoxyphenyl)prop-1-enyl]phenyl]methoxy]-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromene.
What is the SMILES notation for (2R)-6-[[4-[(E)-3-(2-methoxyphenyl)prop-1-enyl]phenyl]methoxy]-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromene?
The canonical SMILES for (2R)-6-[[4-[(E)-3-(2-methoxyphenyl)prop-1-enyl]phenyl]methoxy]-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromene is COc1ccccc1C/C=C/c1ccc(COc2c(C)c(C)c3c(c2C)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O3)cc1.
What is the InChIKey of (2R)-6-[[4-[(E)-3-(2-methoxyphenyl)prop-1-enyl]phenyl]methoxy]-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromene?
The InChIKey is HXMOBZBZJKHOFK-ZATLGYSUSA-N. The full InChI is InChI=1S/C46H66O3/c1-33(2)16-12-17-34(3)18-13-19-35(4)20-15-30-46(8)31-29-42-38(7)44(36(5)37(6)45(42)49-46)48-32-40-27-25-39(26-28-40)21-14-23-41-22-10-11-24-43(41)47-9/h10-11,14,21-22,24-28,33-35H,12-13,15-20,23,29-32H2,1-9H3/b21-14+/t34-,35-,46-/m1/s1.
What are the key properties of (2R)-6-[[4-[(E)-3-(2-methoxyphenyl)prop-1-enyl]phenyl]methoxy]-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromene?
(2R)-6-[[4-[(E)-3-(2-methoxyphenyl)prop-1-enyl]phenyl]methoxy]-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromene has a molecular weight of 667.03 g/mol, XLogP of 12.98, 19 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-[[4-[(E)-3-(2-methoxyphenyl)prop-1-enyl]phenyl]methoxy]-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromene is sourced from PubChem (CID 146164811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).