4-(4-hydroxybutyl)-2-methoxyphenol

C11H16O3 — CID 57164275

IUPAC4-(4-hydroxybutyl)-2-methoxyphenol
SMILESCOc1cc(CCCCO)ccc1O
InChIInChI=1S/C11H16O3/c1-14-11-8-9(4-2-3-7-12)5-6-10(11)13/h5-6,8,12-13H,2-4,7H2,1H3
InChIKeyKYIMBEHWPPBVMI-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.72
Rot. Bonds5

About 4-(4-hydroxybutyl)-2-methoxyphenol

4-(4-hydroxybutyl)-2-methoxyphenol (PubChem CID 57164275) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 4-(4-hydroxybutyl)-2-methoxyphenol.

Molecular Properties

Compound Name4-(4-hydroxybutyl)-2-methoxyphenol
PubChem CID57164275
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name4-(4-hydroxybutyl)-2-methoxyphenol
SMILESCOc1cc(CCCCO)ccc1O
InChIInChI=1S/C11H16O3/c1-14-11-8-9(4-2-3-7-12)5-6-10(11)13/h5-6,8,12-13H,2-4,7H2,1H3
InChIKeyKYIMBEHWPPBVMI-UHFFFAOYSA-N
XLogP1.72
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 4-(4-hydroxybutyl)-2-methoxyphenol?
The IUPAC name of 4-(4-hydroxybutyl)-2-methoxyphenol (CID 57164275) is 4-(4-hydroxybutyl)-2-methoxyphenol.
What is the SMILES notation for 4-(4-hydroxybutyl)-2-methoxyphenol?
The canonical SMILES for 4-(4-hydroxybutyl)-2-methoxyphenol is COc1cc(CCCCO)ccc1O.
What is the InChIKey of 4-(4-hydroxybutyl)-2-methoxyphenol?
The InChIKey is KYIMBEHWPPBVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-14-11-8-9(4-2-3-7-12)5-6-10(11)13/h5-6,8,12-13H,2-4,7H2,1H3.
What are the key properties of 4-(4-hydroxybutyl)-2-methoxyphenol?
4-(4-hydroxybutyl)-2-methoxyphenol has a molecular weight of 196.25 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxybutyl)-2-methoxyphenol is sourced from PubChem (CID 57164275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).