4-[4-(4-hydroxy-2-methoxy-3-methylphenoxy)butoxy]-3-methoxy-2-methylphenol

C20H26O6 — CID 70439609

IUPAC4-[4-(4-hydroxy-2-methoxy-3-methylphenoxy)butoxy]-3-methoxy-2-methylphenol
SMILESCOc1c(OCCCCOc2ccc(O)c(C)c2OC)ccc(O)c1C
InChIInChI=1S/C20H26O6/c1-13-15(21)7-9-17(19(13)23-3)25-11-5-6-12-26-18-10-8-16(22)14(2)20(18)24-4/h7-10,21-22H,5-6,11-12H2,1-4H3
InChIKeyHKQKLCWVNINGNR-UHFFFAOYSA-N
MW362.42 g/mol
LogP3.97
Rot. Bonds9

About 4-[4-(4-hydroxy-2-methoxy-3-methylphenoxy)butoxy]-3-methoxy-2-methylphenol

4-[4-(4-hydroxy-2-methoxy-3-methylphenoxy)butoxy]-3-methoxy-2-methylphenol (PubChem CID 70439609) has the molecular formula C20H26O6 and a molecular weight of 362.42 g/mol. Its IUPAC name is 4-[4-(4-hydroxy-2-methoxy-3-methylphenoxy)butoxy]-3-methoxy-2-methylphenol.

Molecular Properties

Compound Name4-[4-(4-hydroxy-2-methoxy-3-methylphenoxy)butoxy]-3-methoxy-2-methylphenol
PubChem CID70439609
Molecular FormulaC20H26O6
Molecular Weight362.42 g/mol
Exact Mass362.17
IUPAC Name4-[4-(4-hydroxy-2-methoxy-3-methylphenoxy)butoxy]-3-methoxy-2-methylphenol
SMILESCOc1c(OCCCCOc2ccc(O)c(C)c2OC)ccc(O)c1C
InChIInChI=1S/C20H26O6/c1-13-15(21)7-9-17(19(13)23-3)25-11-5-6-12-26-18-10-8-16(22)14(2)20(18)24-4/h7-10,21-22H,5-6,11-12H2,1-4H3
InChIKeyHKQKLCWVNINGNR-UHFFFAOYSA-N
XLogP3.97
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.42
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[4-(4-hydroxy-2-methoxy-3-methylphenoxy)butoxy]-3-methoxy-2-methylphenol 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 4-[4-(4-hydroxy-2-methoxy-3-methylphenoxy)butoxy]-3-methoxy-2-methylphenol?
The IUPAC name of 4-[4-(4-hydroxy-2-methoxy-3-methylphenoxy)butoxy]-3-methoxy-2-methylphenol (CID 70439609) is 4-[4-(4-hydroxy-2-methoxy-3-methylphenoxy)butoxy]-3-methoxy-2-methylphenol.
What is the SMILES notation for 4-[4-(4-hydroxy-2-methoxy-3-methylphenoxy)butoxy]-3-methoxy-2-methylphenol?
The canonical SMILES for 4-[4-(4-hydroxy-2-methoxy-3-methylphenoxy)butoxy]-3-methoxy-2-methylphenol is COc1c(OCCCCOc2ccc(O)c(C)c2OC)ccc(O)c1C.
What is the InChIKey of 4-[4-(4-hydroxy-2-methoxy-3-methylphenoxy)butoxy]-3-methoxy-2-methylphenol?
The InChIKey is HKQKLCWVNINGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O6/c1-13-15(21)7-9-17(19(13)23-3)25-11-5-6-12-26-18-10-8-16(22)14(2)20(18)24-4/h7-10,21-22H,5-6,11-12H2,1-4H3.
What are the key properties of 4-[4-(4-hydroxy-2-methoxy-3-methylphenoxy)butoxy]-3-methoxy-2-methylphenol?
4-[4-(4-hydroxy-2-methoxy-3-methylphenoxy)butoxy]-3-methoxy-2-methylphenol has a molecular weight of 362.42 g/mol, XLogP of 3.97, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-hydroxy-2-methoxy-3-methylphenoxy)butoxy]-3-methoxy-2-methylphenol is sourced from PubChem (CID 70439609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).