4-[3-hydroxy-3-(oxan-2-yl)propyl]phenol

C14H20O3 — CID 57039358

IUPAC4-[3-hydroxy-3-(oxan-2-yl)propyl]phenol
SMILESOc1ccc(CCC(O)C2CCCCO2)cc1
InChIInChI=1S/C14H20O3/c15-12-7-4-11(5-8-12)6-9-13(16)14-3-1-2-10-17-14/h4-5,7-8,13-16H,1-3,6,9-10H2
InChIKeyLJDRSAWPJGDOBN-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.25
Rot. Bonds4

About 4-[3-hydroxy-3-(oxan-2-yl)propyl]phenol

4-[3-hydroxy-3-(oxan-2-yl)propyl]phenol (PubChem CID 57039358) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 4-[3-hydroxy-3-(oxan-2-yl)propyl]phenol.

Molecular Properties

Compound Name4-[3-hydroxy-3-(oxan-2-yl)propyl]phenol
PubChem CID57039358
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name4-[3-hydroxy-3-(oxan-2-yl)propyl]phenol
SMILESOc1ccc(CCC(O)C2CCCCO2)cc1
InChIInChI=1S/C14H20O3/c15-12-7-4-11(5-8-12)6-9-13(16)14-3-1-2-10-17-14/h4-5,7-8,13-16H,1-3,6,9-10H2
InChIKeyLJDRSAWPJGDOBN-UHFFFAOYSA-N
XLogP2.25
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-hydroxy-3-(oxan-2-yl)propyl]phenol?
The IUPAC name of 4-[3-hydroxy-3-(oxan-2-yl)propyl]phenol (CID 57039358) is 4-[3-hydroxy-3-(oxan-2-yl)propyl]phenol.
What is the SMILES notation for 4-[3-hydroxy-3-(oxan-2-yl)propyl]phenol?
The canonical SMILES for 4-[3-hydroxy-3-(oxan-2-yl)propyl]phenol is Oc1ccc(CCC(O)C2CCCCO2)cc1.
What is the InChIKey of 4-[3-hydroxy-3-(oxan-2-yl)propyl]phenol?
The InChIKey is LJDRSAWPJGDOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c15-12-7-4-11(5-8-12)6-9-13(16)14-3-1-2-10-17-14/h4-5,7-8,13-16H,1-3,6,9-10H2.
What are the key properties of 4-[3-hydroxy-3-(oxan-2-yl)propyl]phenol?
4-[3-hydroxy-3-(oxan-2-yl)propyl]phenol has a molecular weight of 236.31 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-hydroxy-3-(oxan-2-yl)propyl]phenol is sourced from PubChem (CID 57039358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).