(3R,5R)-5-butyl-3-phenyloxolan-2-one

C14H18O2 — CID 14968658

IUPAC(3R,5R)-5-butyl-3-phenyloxolan-2-one
SMILESCCCC[C@@H]1C[C@H](c2ccccc2)C(=O)O1
InChIInChI=1S/C14H18O2/c1-2-3-9-12-10-13(14(15)16-12)11-7-5-4-6-8-11/h4-8,12-13H,2-3,9-10H2,1H3/t12-,13-/m1/s1
InChIKeyAWLIUJQQWCNNSY-CHWSQXEVSA-N
MW218.30 g/mol
LogP3.28
Rot. Bonds4

About (3R,5R)-5-butyl-3-phenyloxolan-2-one

(3R,5R)-5-butyl-3-phenyloxolan-2-one (PubChem CID 14968658) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is (3R,5R)-5-butyl-3-phenyloxolan-2-one.

Molecular Properties

Compound Name(3R,5R)-5-butyl-3-phenyloxolan-2-one
PubChem CID14968658
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name(3R,5R)-5-butyl-3-phenyloxolan-2-one
SMILESCCCC[C@@H]1C[C@H](c2ccccc2)C(=O)O1
InChIInChI=1S/C14H18O2/c1-2-3-9-12-10-13(14(15)16-12)11-7-5-4-6-8-11/h4-8,12-13H,2-3,9-10H2,1H3/t12-,13-/m1/s1
InChIKeyAWLIUJQQWCNNSY-CHWSQXEVSA-N
XLogP3.28
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,5S)-3-phenyl-5-tridecyloxolan-2-one
CID 10860874
(3R,5S)-5-butyl-3-(4-hydroxyphenyl)oxolan-2-one
CID 139603112
(3S,5S)-3-amino-5-butyloxolan-2-one
CID 45082203
(3S)-3-amino-5-butyloxolan-2-one
CID 23562305
3-(4-butylphenyl)-5-phenyloxolan-2-one
CID 67810185
6-butyl-3-(4-methoxyphenyl)oxan-2-one
CID 21247895
(3S,5R)-5-butyl-3-chlorooxolan-2-one
CID 92951740
(5R)-5-ethyl-3-(4-octoxyphenyl)oxolan-2-one
CID 59900907
[4-[(3S,5R)-5-hexyl-2-oxooxolan-3-yl]phenyl] 4-octoxybenzoate
CID 15653395
[4-[(3S,5S)-5-hexyl-2-oxooxolan-3-yl]phenyl] 4-octoxybenzoate
CID 100993576
3-phenylmethoxy-5-undecyloxolan-2-one
CID 140613316
(2R,6S)-2-butyl-6-phenyloxane
CID 131845672

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-5-butyl-3-phenyloxolan-2-one?
The IUPAC name of (3R,5R)-5-butyl-3-phenyloxolan-2-one (CID 14968658) is (3R,5R)-5-butyl-3-phenyloxolan-2-one.
What is the SMILES notation for (3R,5R)-5-butyl-3-phenyloxolan-2-one?
The canonical SMILES for (3R,5R)-5-butyl-3-phenyloxolan-2-one is CCCC[C@@H]1C[C@H](c2ccccc2)C(=O)O1.
What is the InChIKey of (3R,5R)-5-butyl-3-phenyloxolan-2-one?
The InChIKey is AWLIUJQQWCNNSY-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H18O2/c1-2-3-9-12-10-13(14(15)16-12)11-7-5-4-6-8-11/h4-8,12-13H,2-3,9-10H2,1H3/t12-,13-/m1/s1.
What are the key properties of (3R,5R)-5-butyl-3-phenyloxolan-2-one?
(3R,5R)-5-butyl-3-phenyloxolan-2-one has a molecular weight of 218.30 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-5-butyl-3-phenyloxolan-2-one is sourced from PubChem (CID 14968658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).