2-[5-(hydroxymethyl)-2,2,4-trimethyl-1H-quinolin-6-yl]-4-(methoxymethoxy)phenol

C21H25NO4 — CID 58026911

IUPAC2-[5-(hydroxymethyl)-2,2,4-trimethyl-1H-quinolin-6-yl]-4-(methoxymethoxy)phenol
SMILESCOCOc1ccc(O)c(-c2ccc3c(c2CO)C(C)=CC(C)(C)N3)c1
InChIInChI=1S/C21H25NO4/c1-13-10-21(2,3)22-18-7-6-15(17(11-23)20(13)18)16-9-14(26-12-25-4)5-8-19(16)24/h5-10,22-24H,11-12H2,1-4H3
InChIKeyZDDUJUYMRSDYJW-UHFFFAOYSA-N
MW355.43 g/mol
LogP4.14
Rot. Bonds5

About 2-[5-(hydroxymethyl)-2,2,4-trimethyl-1H-quinolin-6-yl]-4-(methoxymethoxy)phenol

2-[5-(hydroxymethyl)-2,2,4-trimethyl-1H-quinolin-6-yl]-4-(methoxymethoxy)phenol (PubChem CID 58026911) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is 2-[5-(hydroxymethyl)-2,2,4-trimethyl-1H-quinolin-6-yl]-4-(methoxymethoxy)phenol.

Molecular Properties

Compound Name2-[5-(hydroxymethyl)-2,2,4-trimethyl-1H-quinolin-6-yl]-4-(methoxymethoxy)phenol
PubChem CID58026911
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC Name2-[5-(hydroxymethyl)-2,2,4-trimethyl-1H-quinolin-6-yl]-4-(methoxymethoxy)phenol
SMILESCOCOc1ccc(O)c(-c2ccc3c(c2CO)C(C)=CC(C)(C)N3)c1
InChIInChI=1S/C21H25NO4/c1-13-10-21(2,3)22-18-7-6-15(17(11-23)20(13)18)16-9-14(26-12-25-4)5-8-19(16)24/h5-10,22-24H,11-12H2,1-4H3
InChIKeyZDDUJUYMRSDYJW-UHFFFAOYSA-N
XLogP4.14
TPSA70.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(hydroxymethyl)-2,2,4-trimethyl-1H-quinolin-6-yl]-4-(methoxymethoxy)phenol?
The IUPAC name of 2-[5-(hydroxymethyl)-2,2,4-trimethyl-1H-quinolin-6-yl]-4-(methoxymethoxy)phenol (CID 58026911) is 2-[5-(hydroxymethyl)-2,2,4-trimethyl-1H-quinolin-6-yl]-4-(methoxymethoxy)phenol.
What is the SMILES notation for 2-[5-(hydroxymethyl)-2,2,4-trimethyl-1H-quinolin-6-yl]-4-(methoxymethoxy)phenol?
The canonical SMILES for 2-[5-(hydroxymethyl)-2,2,4-trimethyl-1H-quinolin-6-yl]-4-(methoxymethoxy)phenol is COCOc1ccc(O)c(-c2ccc3c(c2CO)C(C)=CC(C)(C)N3)c1.
What is the InChIKey of 2-[5-(hydroxymethyl)-2,2,4-trimethyl-1H-quinolin-6-yl]-4-(methoxymethoxy)phenol?
The InChIKey is ZDDUJUYMRSDYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO4/c1-13-10-21(2,3)22-18-7-6-15(17(11-23)20(13)18)16-9-14(26-12-25-4)5-8-19(16)24/h5-10,22-24H,11-12H2,1-4H3.
What are the key properties of 2-[5-(hydroxymethyl)-2,2,4-trimethyl-1H-quinolin-6-yl]-4-(methoxymethoxy)phenol?
2-[5-(hydroxymethyl)-2,2,4-trimethyl-1H-quinolin-6-yl]-4-(methoxymethoxy)phenol has a molecular weight of 355.43 g/mol, XLogP of 4.14, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(hydroxymethyl)-2,2,4-trimethyl-1H-quinolin-6-yl]-4-(methoxymethoxy)phenol is sourced from PubChem (CID 58026911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).