4-[2-hydroxy-1-(oxan-4-yl)propan-2-yl]phenol

C14H20O3 — CID 83075141

IUPAC4-[2-hydroxy-1-(oxan-4-yl)propan-2-yl]phenol
SMILESCC(O)(CC1CCOCC1)c1ccc(O)cc1
InChIInChI=1S/C14H20O3/c1-14(16,10-11-6-8-17-9-7-11)12-2-4-13(15)5-3-12/h2-5,11,15-16H,6-10H2,1H3
InChIKeyBJCCMSFWDNJFGC-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.42
Rot. Bonds3

About 4-[2-hydroxy-1-(oxan-4-yl)propan-2-yl]phenol

4-[2-hydroxy-1-(oxan-4-yl)propan-2-yl]phenol (PubChem CID 83075141) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 4-[2-hydroxy-1-(oxan-4-yl)propan-2-yl]phenol.

Molecular Properties

Compound Name4-[2-hydroxy-1-(oxan-4-yl)propan-2-yl]phenol
PubChem CID83075141
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name4-[2-hydroxy-1-(oxan-4-yl)propan-2-yl]phenol
SMILESCC(O)(CC1CCOCC1)c1ccc(O)cc1
InChIInChI=1S/C14H20O3/c1-14(16,10-11-6-8-17-9-7-11)12-2-4-13(15)5-3-12/h2-5,11,15-16H,6-10H2,1H3
InChIKeyBJCCMSFWDNJFGC-UHFFFAOYSA-N
XLogP2.42
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-Pentylphenol
CID 6643
Bisphenol A
CID 6623
Dienestrol
CID 667476
Hexestrol
CID 192197
4-Nonylphenol
CID 1752
4-Tert-octylphenol
CID 8814
Bisphenol B
CID 66166
4-Cumylphenol
CID 11742
4-Isopropylphenol
CID 7465
4,4'-Dihydroxybiphenyl
CID 7112
4-Hydroxybiphenyl
CID 7103
4-n-Octylphenol
CID 15730

Frequently Asked Questions

What is the IUPAC name of 4-[2-hydroxy-1-(oxan-4-yl)propan-2-yl]phenol?
The IUPAC name of 4-[2-hydroxy-1-(oxan-4-yl)propan-2-yl]phenol (CID 83075141) is 4-[2-hydroxy-1-(oxan-4-yl)propan-2-yl]phenol.
What is the SMILES notation for 4-[2-hydroxy-1-(oxan-4-yl)propan-2-yl]phenol?
The canonical SMILES for 4-[2-hydroxy-1-(oxan-4-yl)propan-2-yl]phenol is CC(O)(CC1CCOCC1)c1ccc(O)cc1.
What is the InChIKey of 4-[2-hydroxy-1-(oxan-4-yl)propan-2-yl]phenol?
The InChIKey is BJCCMSFWDNJFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-14(16,10-11-6-8-17-9-7-11)12-2-4-13(15)5-3-12/h2-5,11,15-16H,6-10H2,1H3.
What are the key properties of 4-[2-hydroxy-1-(oxan-4-yl)propan-2-yl]phenol?
4-[2-hydroxy-1-(oxan-4-yl)propan-2-yl]phenol has a molecular weight of 236.31 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-hydroxy-1-(oxan-4-yl)propan-2-yl]phenol is sourced from PubChem (CID 83075141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).