4-[(3R)-3-hydroxybutyl]phenol

C10H14O2 — CID 919205

IUPAC4-[(3R)-3-hydroxybutyl]phenol
SMILESC[C@@H](O)CCc1ccc(O)cc1
InChIInChI=1S/C10H14O2/c1-8(11)2-3-9-4-6-10(12)7-5-9/h4-8,11-12H,2-3H2,1H3/t8-/m1/s1
InChIKeySFUCGABQOMYVJW-MRVPVSSYSA-N
MW166.22 g/mol
LogP1.71
Rot. Bonds3

About 4-[(3R)-3-hydroxybutyl]phenol

4-[(3R)-3-hydroxybutyl]phenol (PubChem CID 919205) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 4-[(3R)-3-hydroxybutyl]phenol.

Molecular Properties

Compound Name4-[(3R)-3-hydroxybutyl]phenol
PubChem CID919205
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name4-[(3R)-3-hydroxybutyl]phenol
SMILESC[C@@H](O)CCc1ccc(O)cc1
InChIInChI=1S/C10H14O2/c1-8(11)2-3-9-4-6-10(12)7-5-9/h4-8,11-12H,2-3H2,1H3/t8-/m1/s1
InChIKeySFUCGABQOMYVJW-MRVPVSSYSA-N
XLogP1.71
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-hydroxybutyl]phenol?
The IUPAC name of 4-[(3R)-3-hydroxybutyl]phenol (CID 919205) is 4-[(3R)-3-hydroxybutyl]phenol.
What is the SMILES notation for 4-[(3R)-3-hydroxybutyl]phenol?
The canonical SMILES for 4-[(3R)-3-hydroxybutyl]phenol is C[C@@H](O)CCc1ccc(O)cc1.
What is the InChIKey of 4-[(3R)-3-hydroxybutyl]phenol?
The InChIKey is SFUCGABQOMYVJW-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H14O2/c1-8(11)2-3-9-4-6-10(12)7-5-9/h4-8,11-12H,2-3H2,1H3/t8-/m1/s1.
What are the key properties of 4-[(3R)-3-hydroxybutyl]phenol?
4-[(3R)-3-hydroxybutyl]phenol has a molecular weight of 166.22 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-hydroxybutyl]phenol is sourced from PubChem (CID 919205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).