3-[(4-hydroxyphenyl)methyl]oxan-4-ol

C12H16O3 — CID 106471081

IUPAC3-[(4-hydroxyphenyl)methyl]oxan-4-ol
SMILESOc1ccc(CC2COCCC2O)cc1
InChIInChI=1S/C12H16O3/c13-11-3-1-9(2-4-11)7-10-8-15-6-5-12(10)14/h1-4,10,12-14H,5-8H2
InChIKeyPAYVTNYZWDLOEC-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.33
Rot. Bonds2

About 3-[(4-hydroxyphenyl)methyl]oxan-4-ol

3-[(4-hydroxyphenyl)methyl]oxan-4-ol (PubChem CID 106471081) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-[(4-hydroxyphenyl)methyl]oxan-4-ol.

Molecular Properties

Compound Name3-[(4-hydroxyphenyl)methyl]oxan-4-ol
PubChem CID106471081
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name3-[(4-hydroxyphenyl)methyl]oxan-4-ol
SMILESOc1ccc(CC2COCCC2O)cc1
InChIInChI=1S/C12H16O3/c13-11-3-1-9(2-4-11)7-10-8-15-6-5-12(10)14/h1-4,10,12-14H,5-8H2
InChIKeyPAYVTNYZWDLOEC-UHFFFAOYSA-N
XLogP1.33
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-chlorophenyl)methyl]oxan-4-ol
CID 71649863
3-[(4-tert-butylphenyl)methyl]oxan-4-ol
CID 106471360
3-[(3-chloro-4-fluorophenyl)methyl]oxan-4-ol
CID 106471356
4-[(2-hydroxycyclohexyl)methyl]phenol
CID 54410536
3-[(3-fluorophenyl)methyl]oxan-4-ol
CID 71649867
3-[(2-bromophenyl)methyl]oxan-4-ol
CID 106471230
3-[(5-bromothiophen-2-yl)methyl]oxan-4-ol
CID 106471228
4-[(2-methoxyoxetan-3-yl)methyl]phenol
CID 174284094
3-(quinolin-4-ylmethyl)oxan-4-ol
CID 106471125
N-[(4-hydroxyphenyl)methyl]oxolane-3-carboxamide
CID 115595322
4-benzyloxolan-3-ol
CID 14785279
3-[(4-bromophenyl)methyl]oxane-4-thiol
CID 71650221

Frequently Asked Questions

What is the IUPAC name of 3-[(4-hydroxyphenyl)methyl]oxan-4-ol?
The IUPAC name of 3-[(4-hydroxyphenyl)methyl]oxan-4-ol (CID 106471081) is 3-[(4-hydroxyphenyl)methyl]oxan-4-ol.
What is the SMILES notation for 3-[(4-hydroxyphenyl)methyl]oxan-4-ol?
The canonical SMILES for 3-[(4-hydroxyphenyl)methyl]oxan-4-ol is Oc1ccc(CC2COCCC2O)cc1.
What is the InChIKey of 3-[(4-hydroxyphenyl)methyl]oxan-4-ol?
The InChIKey is PAYVTNYZWDLOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c13-11-3-1-9(2-4-11)7-10-8-15-6-5-12(10)14/h1-4,10,12-14H,5-8H2.
What are the key properties of 3-[(4-hydroxyphenyl)methyl]oxan-4-ol?
3-[(4-hydroxyphenyl)methyl]oxan-4-ol has a molecular weight of 208.26 g/mol, XLogP of 1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-hydroxyphenyl)methyl]oxan-4-ol is sourced from PubChem (CID 106471081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).