2-[2-[2-hydroxy-5-(hydroxymethyl)-3-methoxyphenyl]ethynyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol

C23H26O5 — CID 15171836

IUPAC2-[2-[2-hydroxy-5-(hydroxymethyl)-3-methoxyphenyl]ethynyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol
SMILESCOc1cc(CO)cc(C#CC2(C)CCc3c(C)c(O)c(C)c(C)c3O2)c1O
InChIInChI=1S/C23H26O5/c1-13-14(2)22-18(15(3)20(13)25)7-9-23(4,28-22)8-6-17-10-16(12-24)11-19(27-5)21(17)26/h10-11,24-26H,7,9,12H2,1-5H3
InChIKeyDJFPVCQPPJAQBN-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.66
Rot. Bonds2

About 2-[2-[2-hydroxy-5-(hydroxymethyl)-3-methoxyphenyl]ethynyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol

2-[2-[2-hydroxy-5-(hydroxymethyl)-3-methoxyphenyl]ethynyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol (PubChem CID 15171836) has the molecular formula C23H26O5 and a molecular weight of 382.46 g/mol. Its IUPAC name is 2-[2-[2-hydroxy-5-(hydroxymethyl)-3-methoxyphenyl]ethynyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol.

Molecular Properties

Compound Name2-[2-[2-hydroxy-5-(hydroxymethyl)-3-methoxyphenyl]ethynyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol
PubChem CID15171836
Molecular FormulaC23H26O5
Molecular Weight382.46 g/mol
Exact Mass382.18
IUPAC Name2-[2-[2-hydroxy-5-(hydroxymethyl)-3-methoxyphenyl]ethynyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol
SMILESCOc1cc(CO)cc(C#CC2(C)CCc3c(C)c(O)c(C)c(C)c3O2)c1O
InChIInChI=1S/C23H26O5/c1-13-14(2)22-18(15(3)20(13)25)7-9-23(4,28-22)8-6-17-10-16(12-24)11-19(27-5)21(17)26/h10-11,24-26H,7,9,12H2,1-5H3
InChIKeyDJFPVCQPPJAQBN-UHFFFAOYSA-N
XLogP3.66
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[2-[2-hydroxy-5-(hydroxymethyl)-3-methoxyphenyl]ethynyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol 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 2-[2-[2-hydroxy-5-(hydroxymethyl)-3-methoxyphenyl]ethynyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol?
The IUPAC name of 2-[2-[2-hydroxy-5-(hydroxymethyl)-3-methoxyphenyl]ethynyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol (CID 15171836) is 2-[2-[2-hydroxy-5-(hydroxymethyl)-3-methoxyphenyl]ethynyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol.
What is the SMILES notation for 2-[2-[2-hydroxy-5-(hydroxymethyl)-3-methoxyphenyl]ethynyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol?
The canonical SMILES for 2-[2-[2-hydroxy-5-(hydroxymethyl)-3-methoxyphenyl]ethynyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol is COc1cc(CO)cc(C#CC2(C)CCc3c(C)c(O)c(C)c(C)c3O2)c1O.
What is the InChIKey of 2-[2-[2-hydroxy-5-(hydroxymethyl)-3-methoxyphenyl]ethynyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol?
The InChIKey is DJFPVCQPPJAQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26O5/c1-13-14(2)22-18(15(3)20(13)25)7-9-23(4,28-22)8-6-17-10-16(12-24)11-19(27-5)21(17)26/h10-11,24-26H,7,9,12H2,1-5H3.
What are the key properties of 2-[2-[2-hydroxy-5-(hydroxymethyl)-3-methoxyphenyl]ethynyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol?
2-[2-[2-hydroxy-5-(hydroxymethyl)-3-methoxyphenyl]ethynyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol has a molecular weight of 382.46 g/mol, XLogP of 3.66, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-hydroxy-5-(hydroxymethyl)-3-methoxyphenyl]ethynyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol is sourced from PubChem (CID 15171836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).