5-[4-(3-hydroxy-4-methoxyphenyl)butyl]-2-methoxyphenol

C18H22O4 — CID 57066187

IUPAC5-[4-(3-hydroxy-4-methoxyphenyl)butyl]-2-methoxyphenol
SMILESCOc1ccc(CCCCc2ccc(OC)c(O)c2)cc1O
InChIInChI=1S/C18H22O4/c1-21-17-9-7-13(11-15(17)19)5-3-4-6-14-8-10-18(22-2)16(20)12-14/h7-12,19-20H,3-6H2,1-2H3
InChIKeyPGWAJYRZVHBBQJ-UHFFFAOYSA-N
MW302.37 g/mol
LogP3.68
Rot. Bonds7

About 5-[4-(3-hydroxy-4-methoxyphenyl)butyl]-2-methoxyphenol

5-[4-(3-hydroxy-4-methoxyphenyl)butyl]-2-methoxyphenol (PubChem CID 57066187) has the molecular formula C18H22O4 and a molecular weight of 302.37 g/mol. Its IUPAC name is 5-[4-(3-hydroxy-4-methoxyphenyl)butyl]-2-methoxyphenol.

Molecular Properties

Compound Name5-[4-(3-hydroxy-4-methoxyphenyl)butyl]-2-methoxyphenol
PubChem CID57066187
Molecular FormulaC18H22O4
Molecular Weight302.37 g/mol
Exact Mass302.15
IUPAC Name5-[4-(3-hydroxy-4-methoxyphenyl)butyl]-2-methoxyphenol
SMILESCOc1ccc(CCCCc2ccc(OC)c(O)c2)cc1O
InChIInChI=1S/C18H22O4/c1-21-17-9-7-13(11-15(17)19)5-3-4-6-14-8-10-18(22-2)16(20)12-14/h7-12,19-20H,3-6H2,1-2H3
InChIKeyPGWAJYRZVHBBQJ-UHFFFAOYSA-N
XLogP3.68
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(3-aminopropyl)-2-methoxyphenol
CID 55265877
5-(2-aminoethyl)-2-methoxyphenol chloride
CID 53313231
5-(aminomethyl)-2-methoxyphenol
CID 1132998
1,7-bis(3-hydroxy-4-methoxyphenyl)heptane-3,5-dione
CID 22501459
5-(2-hydroxyethyl)-2-methoxyphenol;2-(4-methoxy-3-methylphenyl)ethanol
CID 167594575
(3-hydroxy-4-methoxyphenyl)methyl-methylazanium
CID 7298318
4-[9-(3,4-dimethoxyphenyl)nonyl]phenol
CID 10736998
(3-hydroxy-4-methoxyphenyl)methyl-methylazanide
CID 59297645
2-(3-hydroxy-4-methoxyphenyl)ethylcarbamic acid
CID 174214574
2-iodo-4-[4-(3-iodo-4-methoxyphenyl)butyl]-1-methoxybenzene
CID 71345262
5-[2-(3-bromo-5-methoxyphenyl)ethyl]-2-methoxyphenol
CID 172870374
ethyl 3-(3-hydroxy-4-methoxyphenyl)propanoate
CID 10867928

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-hydroxy-4-methoxyphenyl)butyl]-2-methoxyphenol?
The IUPAC name of 5-[4-(3-hydroxy-4-methoxyphenyl)butyl]-2-methoxyphenol (CID 57066187) is 5-[4-(3-hydroxy-4-methoxyphenyl)butyl]-2-methoxyphenol.
What is the SMILES notation for 5-[4-(3-hydroxy-4-methoxyphenyl)butyl]-2-methoxyphenol?
The canonical SMILES for 5-[4-(3-hydroxy-4-methoxyphenyl)butyl]-2-methoxyphenol is COc1ccc(CCCCc2ccc(OC)c(O)c2)cc1O.
What is the InChIKey of 5-[4-(3-hydroxy-4-methoxyphenyl)butyl]-2-methoxyphenol?
The InChIKey is PGWAJYRZVHBBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O4/c1-21-17-9-7-13(11-15(17)19)5-3-4-6-14-8-10-18(22-2)16(20)12-14/h7-12,19-20H,3-6H2,1-2H3.
What are the key properties of 5-[4-(3-hydroxy-4-methoxyphenyl)butyl]-2-methoxyphenol?
5-[4-(3-hydroxy-4-methoxyphenyl)butyl]-2-methoxyphenol has a molecular weight of 302.37 g/mol, XLogP of 3.68, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-hydroxy-4-methoxyphenyl)butyl]-2-methoxyphenol is sourced from PubChem (CID 57066187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).