(4R,5R)-5-(hydroxymethyl)-4-phenyloxolan-2-one

C11H12O3 — CID 25179342

IUPAC(4R,5R)-5-(hydroxymethyl)-4-phenyloxolan-2-one
SMILESO=C1C[C@H](c2ccccc2)[C@H](CO)O1
InChIInChI=1S/C11H12O3/c12-7-10-9(6-11(13)14-10)8-4-2-1-3-5-8/h1-5,9-10,12H,6-7H2/t9-,10+/m1/s1
InChIKeyPVHURAHEXFHPFO-ZJUUUORDSA-N
MW192.21 g/mol
LogP1.08
Rot. Bonds2

About (4R,5R)-5-(hydroxymethyl)-4-phenyloxolan-2-one

(4R,5R)-5-(hydroxymethyl)-4-phenyloxolan-2-one (PubChem CID 25179342) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is (4R,5R)-5-(hydroxymethyl)-4-phenyloxolan-2-one.

Molecular Properties

Compound Name(4R,5R)-5-(hydroxymethyl)-4-phenyloxolan-2-one
PubChem CID25179342
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name(4R,5R)-5-(hydroxymethyl)-4-phenyloxolan-2-one
SMILESO=C1C[C@H](c2ccccc2)[C@H](CO)O1
InChIInChI=1S/C11H12O3/c12-7-10-9(6-11(13)14-10)8-4-2-1-3-5-8/h1-5,9-10,12H,6-7H2/t9-,10+/m1/s1
InChIKeyPVHURAHEXFHPFO-ZJUUUORDSA-N
XLogP1.08
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(bromomethyl)-4-phenyloxolan-2-one
CID 59051964
4-phenyl-5-prop-2-enyloxolan-2-one
CID 14448606
4-(4-bromophenyl)-5-phenyloxolan-2-one
CID 144706057
4-(4-methylphenyl)-5-phenyloxolan-2-one
CID 144706058
(2R,3S,4S)-2-(hydroxymethyl)-4-phenyloxolan-3-ol
CID 130883145
(4S,5R,6R)-5-acetyl-4,6-diphenyloxan-2-one
CID 15448194
(4S,5R)-5-(hydroxymethyl)-4-methyloxolan-2-one
CID 10820549
(4S,5R)-4-phenyl-5-(2,2,2-trifluoroethoxy)oxolan-2-one
CID 177413972
4-phenyl-5-(trifluoromethyl)oxolan-2-one
CID 144706053
(4S,5S)-4-(2-hydroxyethyl)-5-phenyloxolan-2-one
CID 11424286
(4R,5S,6S)-4-phenyl-6-(phenylselanylmethyl)-5-propan-2-yloxan-2-one
CID 15349188
[(4S,5S)-5-(hydroxymethyl)-2-phenyl-1,3-dioxolan-4-yl]methanol
CID 719727

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-5-(hydroxymethyl)-4-phenyloxolan-2-one?
The IUPAC name of (4R,5R)-5-(hydroxymethyl)-4-phenyloxolan-2-one (CID 25179342) is (4R,5R)-5-(hydroxymethyl)-4-phenyloxolan-2-one.
What is the SMILES notation for (4R,5R)-5-(hydroxymethyl)-4-phenyloxolan-2-one?
The canonical SMILES for (4R,5R)-5-(hydroxymethyl)-4-phenyloxolan-2-one is O=C1C[C@H](c2ccccc2)[C@H](CO)O1.
What is the InChIKey of (4R,5R)-5-(hydroxymethyl)-4-phenyloxolan-2-one?
The InChIKey is PVHURAHEXFHPFO-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H12O3/c12-7-10-9(6-11(13)14-10)8-4-2-1-3-5-8/h1-5,9-10,12H,6-7H2/t9-,10+/m1/s1.
What are the key properties of (4R,5R)-5-(hydroxymethyl)-4-phenyloxolan-2-one?
(4R,5R)-5-(hydroxymethyl)-4-phenyloxolan-2-one has a molecular weight of 192.21 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-5-(hydroxymethyl)-4-phenyloxolan-2-one is sourced from PubChem (CID 25179342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).