4-benzyloxolan-3-ol

C11H14O2 — CID 14785279

IUPAC4-benzyloxolan-3-ol
SMILESOC1COCC1Cc1ccccc1
InChIInChI=1S/C11H14O2/c12-11-8-13-7-10(11)6-9-4-2-1-3-5-9/h1-5,10-12H,6-8H2
InChIKeyDBSHHWVKURKFCT-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.24
Rot. Bonds2

About 4-benzyloxolan-3-ol

4-benzyloxolan-3-ol (PubChem CID 14785279) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 4-benzyloxolan-3-ol.

Molecular Properties

Compound Name4-benzyloxolan-3-ol
PubChem CID14785279
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name4-benzyloxolan-3-ol
SMILESOC1COCC1Cc1ccccc1
InChIInChI=1S/C11H14O2/c12-11-8-13-7-10(11)6-9-4-2-1-3-5-9/h1-5,10-12H,6-8H2
InChIKeyDBSHHWVKURKFCT-UHFFFAOYSA-N
XLogP1.24
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-hydroxyoxolan-3-yl)-1-phenylethanone
CID 130502882
5-benzyl-4-methyl-1,3-dioxane
CID 12704146
(2S,3S)-3-benzyloxolan-2-ol
CID 86339403
(3S)-4-ethyloxolan-3-ol
CID 147211957
(2S,4S,5S)-5-benzyl-2-(trimethylsilylmethyl)oxan-4-ol
CID 15856891
4-(dibenzylamino)oxolan-3-ol
CID 130502990
(3aR,4R,9aS)-9-benzyl-1,3,3a,4,9,9a-hexahydrobenzo[f][2]benzofuran-4-ol
CID 101239046
3,5-dibenzylmorpholine-4-carboxylic acid
CID 174864328
3-[(4-hydroxyphenyl)methyl]oxan-4-ol
CID 106471081
(3R,4S)-4-(2-phenylethylamino)oxolan-3-ol
CID 86315413
(2-benzylcyclopropyl)methanamine
CID 56605942
(1S,2S,4S)-4-amino-2-benzylcyclopentan-1-ol
CID 166640244

Frequently Asked Questions

What is the IUPAC name of 4-benzyloxolan-3-ol?
The IUPAC name of 4-benzyloxolan-3-ol (CID 14785279) is 4-benzyloxolan-3-ol.
What is the SMILES notation for 4-benzyloxolan-3-ol?
The canonical SMILES for 4-benzyloxolan-3-ol is OC1COCC1Cc1ccccc1.
What is the InChIKey of 4-benzyloxolan-3-ol?
The InChIKey is DBSHHWVKURKFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c12-11-8-13-7-10(11)6-9-4-2-1-3-5-9/h1-5,10-12H,6-8H2.
What are the key properties of 4-benzyloxolan-3-ol?
4-benzyloxolan-3-ol has a molecular weight of 178.23 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyloxolan-3-ol is sourced from PubChem (CID 14785279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).