(2R)-2,5,7,8-tetramethyl-2-[9-(triazol-2-yl)nonyl]-3,4-dihydrochromen-6-ol

C24H37N3O2 — CID 25119045

IUPAC(2R)-2,5,7,8-tetramethyl-2-[9-(triazol-2-yl)nonyl]-3,4-dihydrochromen-6-ol
SMILESCc1c(C)c2c(c(C)c1O)CC[C@@](C)(CCCCCCCCCn1nccn1)O2
InChIInChI=1S/C24H37N3O2/c1-18-19(2)23-21(20(3)22(18)28)12-14-24(4,29-23)13-10-8-6-5-7-9-11-17-27-25-15-16-26-27/h15-16,28H,5-14,17H2,1-4H3/t24-/m1/s1
InChIKeyLWUGACPKLFYMKY-XMMPIXPASA-N
MW399.58 g/mol
LogP5.81
Rot. Bonds10

About (2R)-2,5,7,8-tetramethyl-2-[9-(triazol-2-yl)nonyl]-3,4-dihydrochromen-6-ol

(2R)-2,5,7,8-tetramethyl-2-[9-(triazol-2-yl)nonyl]-3,4-dihydrochromen-6-ol (PubChem CID 25119045) has the molecular formula C24H37N3O2 and a molecular weight of 399.58 g/mol. Its IUPAC name is (2R)-2,5,7,8-tetramethyl-2-[9-(triazol-2-yl)nonyl]-3,4-dihydrochromen-6-ol.

Molecular Properties

Compound Name(2R)-2,5,7,8-tetramethyl-2-[9-(triazol-2-yl)nonyl]-3,4-dihydrochromen-6-ol
PubChem CID25119045
Molecular FormulaC24H37N3O2
Molecular Weight399.58 g/mol
Exact Mass399.29
IUPAC Name(2R)-2,5,7,8-tetramethyl-2-[9-(triazol-2-yl)nonyl]-3,4-dihydrochromen-6-ol
SMILESCc1c(C)c2c(c(C)c1O)CC[C@@](C)(CCCCCCCCCn1nccn1)O2
InChIInChI=1S/C24H37N3O2/c1-18-19(2)23-21(20(3)22(18)28)12-14-24(4,29-23)13-10-8-6-5-7-9-11-17-27-25-15-16-26-27/h15-16,28H,5-14,17H2,1-4H3/t24-/m1/s1
InChIKeyLWUGACPKLFYMKY-XMMPIXPASA-N
XLogP5.81
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.58
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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)-2,5,7,8-tetramethyl-2-[9-(triazol-2-yl)nonyl]-3,4-dihydrochromen-6-ol?
The IUPAC name of (2R)-2,5,7,8-tetramethyl-2-[9-(triazol-2-yl)nonyl]-3,4-dihydrochromen-6-ol (CID 25119045) is (2R)-2,5,7,8-tetramethyl-2-[9-(triazol-2-yl)nonyl]-3,4-dihydrochromen-6-ol.
What is the SMILES notation for (2R)-2,5,7,8-tetramethyl-2-[9-(triazol-2-yl)nonyl]-3,4-dihydrochromen-6-ol?
The canonical SMILES for (2R)-2,5,7,8-tetramethyl-2-[9-(triazol-2-yl)nonyl]-3,4-dihydrochromen-6-ol is Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(CCCCCCCCCn1nccn1)O2.
What is the InChIKey of (2R)-2,5,7,8-tetramethyl-2-[9-(triazol-2-yl)nonyl]-3,4-dihydrochromen-6-ol?
The InChIKey is LWUGACPKLFYMKY-XMMPIXPASA-N. The full InChI is InChI=1S/C24H37N3O2/c1-18-19(2)23-21(20(3)22(18)28)12-14-24(4,29-23)13-10-8-6-5-7-9-11-17-27-25-15-16-26-27/h15-16,28H,5-14,17H2,1-4H3/t24-/m1/s1.
What are the key properties of (2R)-2,5,7,8-tetramethyl-2-[9-(triazol-2-yl)nonyl]-3,4-dihydrochromen-6-ol?
(2R)-2,5,7,8-tetramethyl-2-[9-(triazol-2-yl)nonyl]-3,4-dihydrochromen-6-ol has a molecular weight of 399.58 g/mol, XLogP of 5.81, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,5,7,8-tetramethyl-2-[9-(triazol-2-yl)nonyl]-3,4-dihydrochromen-6-ol is sourced from PubChem (CID 25119045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).