(4S)-4-methyl-4-(phenylmethoxymethyl)oxolan-2-ol

C13H18O3 — CID 15450619

IUPAC(4S)-4-methyl-4-(phenylmethoxymethyl)oxolan-2-ol
SMILESC[C@]1(COCc2ccccc2)COC(O)C1
InChIInChI=1S/C13H18O3/c1-13(7-12(14)16-10-13)9-15-8-11-5-3-2-4-6-11/h2-6,12,14H,7-10H2,1H3/t12?,13-/m0/s1
InChIKeyFQGHCXNXPJTVMU-ABLWVSNPSA-N
MW222.28 g/mol
LogP1.95
Rot. Bonds4

About (4S)-4-methyl-4-(phenylmethoxymethyl)oxolan-2-ol

(4S)-4-methyl-4-(phenylmethoxymethyl)oxolan-2-ol (PubChem CID 15450619) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is (4S)-4-methyl-4-(phenylmethoxymethyl)oxolan-2-ol.

Molecular Properties

Compound Name(4S)-4-methyl-4-(phenylmethoxymethyl)oxolan-2-ol
PubChem CID15450619
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name(4S)-4-methyl-4-(phenylmethoxymethyl)oxolan-2-ol
SMILESC[C@]1(COCc2ccccc2)COC(O)C1
InChIInChI=1S/C13H18O3/c1-13(7-12(14)16-10-13)9-15-8-11-5-3-2-4-6-11/h2-6,12,14H,7-10H2,1H3/t12?,13-/m0/s1
InChIKeyFQGHCXNXPJTVMU-ABLWVSNPSA-N
XLogP1.95
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-methyl-4-(phenylmethoxymethyl)oxolan-2-ol?
The IUPAC name of (4S)-4-methyl-4-(phenylmethoxymethyl)oxolan-2-ol (CID 15450619) is (4S)-4-methyl-4-(phenylmethoxymethyl)oxolan-2-ol.
What is the SMILES notation for (4S)-4-methyl-4-(phenylmethoxymethyl)oxolan-2-ol?
The canonical SMILES for (4S)-4-methyl-4-(phenylmethoxymethyl)oxolan-2-ol is C[C@]1(COCc2ccccc2)COC(O)C1.
What is the InChIKey of (4S)-4-methyl-4-(phenylmethoxymethyl)oxolan-2-ol?
The InChIKey is FQGHCXNXPJTVMU-ABLWVSNPSA-N. The full InChI is InChI=1S/C13H18O3/c1-13(7-12(14)16-10-13)9-15-8-11-5-3-2-4-6-11/h2-6,12,14H,7-10H2,1H3/t12?,13-/m0/s1.
What are the key properties of (4S)-4-methyl-4-(phenylmethoxymethyl)oxolan-2-ol?
(4S)-4-methyl-4-(phenylmethoxymethyl)oxolan-2-ol has a molecular weight of 222.28 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-methyl-4-(phenylmethoxymethyl)oxolan-2-ol is sourced from PubChem (CID 15450619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).