(2R)-2-(9-imidazol-1-ylnonyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol

C25H38N2O2 — CID 25067516

IUPAC(2R)-2-(9-imidazol-1-ylnonyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol
SMILESCc1c(C)c2c(c(C)c1O)CC[C@@](C)(CCCCCCCCCn1ccnc1)O2
InChIInChI=1S/C25H38N2O2/c1-19-20(2)24-22(21(3)23(19)28)12-14-25(4,29-24)13-10-8-6-5-7-9-11-16-27-17-15-26-18-27/h15,17-18,28H,5-14,16H2,1-4H3/t25-/m1/s1
InChIKeyMLGXSNGGDPGAOF-RUZDIDTESA-N
MW398.59 g/mol
LogP6.42
Rot. Bonds10

About (2R)-2-(9-imidazol-1-ylnonyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol

(2R)-2-(9-imidazol-1-ylnonyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol (PubChem CID 25067516) has the molecular formula C25H38N2O2 and a molecular weight of 398.59 g/mol. Its IUPAC name is (2R)-2-(9-imidazol-1-ylnonyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol.

Molecular Properties

Compound Name(2R)-2-(9-imidazol-1-ylnonyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol
PubChem CID25067516
Molecular FormulaC25H38N2O2
Molecular Weight398.59 g/mol
Exact Mass398.29
IUPAC Name(2R)-2-(9-imidazol-1-ylnonyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol
SMILESCc1c(C)c2c(c(C)c1O)CC[C@@](C)(CCCCCCCCCn1ccnc1)O2
InChIInChI=1S/C25H38N2O2/c1-19-20(2)24-22(21(3)23(19)28)12-14-25(4,29-24)13-10-8-6-5-7-9-11-16-27-17-15-26-18-27/h15,17-18,28H,5-14,16H2,1-4H3/t25-/m1/s1
InChIKeyMLGXSNGGDPGAOF-RUZDIDTESA-N
XLogP6.42
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.59
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(9-imidazol-1-ylnonyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol?
The IUPAC name of (2R)-2-(9-imidazol-1-ylnonyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol (CID 25067516) is (2R)-2-(9-imidazol-1-ylnonyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol.
What is the SMILES notation for (2R)-2-(9-imidazol-1-ylnonyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol?
The canonical SMILES for (2R)-2-(9-imidazol-1-ylnonyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol is Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(CCCCCCCCCn1ccnc1)O2.
What is the InChIKey of (2R)-2-(9-imidazol-1-ylnonyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol?
The InChIKey is MLGXSNGGDPGAOF-RUZDIDTESA-N. The full InChI is InChI=1S/C25H38N2O2/c1-19-20(2)24-22(21(3)23(19)28)12-14-25(4,29-24)13-10-8-6-5-7-9-11-16-27-17-15-26-18-27/h15,17-18,28H,5-14,16H2,1-4H3/t25-/m1/s1.
What are the key properties of (2R)-2-(9-imidazol-1-ylnonyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol?
(2R)-2-(9-imidazol-1-ylnonyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol has a molecular weight of 398.59 g/mol, XLogP of 6.42, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(9-imidazol-1-ylnonyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol is sourced from PubChem (CID 25067516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).