4-(3-hydroxybutyl)-2-methoxyphenol

C11H16O3 — CID 3016110

IUPAC4-(3-hydroxybutyl)-2-methoxyphenol
SMILESCOc1cc(CCC(C)O)ccc1O
InChIInChI=1S/C11H16O3/c1-8(12)3-4-9-5-6-10(13)11(7-9)14-2/h5-8,12-13H,3-4H2,1-2H3
InChIKeyGTLGHKNKLRZSMO-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.71
Rot. Bonds4

About 4-(3-hydroxybutyl)-2-methoxyphenol

4-(3-hydroxybutyl)-2-methoxyphenol (PubChem CID 3016110) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 4-(3-hydroxybutyl)-2-methoxyphenol.

Molecular Properties

Compound Name4-(3-hydroxybutyl)-2-methoxyphenol
PubChem CID3016110
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name4-(3-hydroxybutyl)-2-methoxyphenol
SMILESCOc1cc(CCC(C)O)ccc1O
InChIInChI=1S/C11H16O3/c1-8(12)3-4-9-5-6-10(13)11(7-9)14-2/h5-8,12-13H,3-4H2,1-2H3
InChIKeyGTLGHKNKLRZSMO-UHFFFAOYSA-N
XLogP1.71
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxybutyl)-2-methoxyphenol?
The IUPAC name of 4-(3-hydroxybutyl)-2-methoxyphenol (CID 3016110) is 4-(3-hydroxybutyl)-2-methoxyphenol.
What is the SMILES notation for 4-(3-hydroxybutyl)-2-methoxyphenol?
The canonical SMILES for 4-(3-hydroxybutyl)-2-methoxyphenol is COc1cc(CCC(C)O)ccc1O.
What is the InChIKey of 4-(3-hydroxybutyl)-2-methoxyphenol?
The InChIKey is GTLGHKNKLRZSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-8(12)3-4-9-5-6-10(13)11(7-9)14-2/h5-8,12-13H,3-4H2,1-2H3.
What are the key properties of 4-(3-hydroxybutyl)-2-methoxyphenol?
4-(3-hydroxybutyl)-2-methoxyphenol has a molecular weight of 196.25 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxybutyl)-2-methoxyphenol is sourced from PubChem (CID 3016110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).