(2R,3S,6R)-2-(hydroxymethyl)-6-(4-propylphenyl)oxan-3-ol

C15H22O3 — CID 131853539

IUPAC(2R,3S,6R)-2-(hydroxymethyl)-6-(4-propylphenyl)oxan-3-ol
SMILESCCCc1ccc([C@H]2CC[C@H](O)[C@@H](CO)O2)cc1
InChIInChI=1S/C15H22O3/c1-2-3-11-4-6-12(7-5-11)14-9-8-13(17)15(10-16)18-14/h4-7,13-17H,2-3,8-10H2,1H3/t13-,14+,15+/m0/s1
InChIKeyBUNZRLLNJZETBT-RRFJBIMHSA-N
MW250.34 g/mol
LogP2.21
Rot. Bonds4

About (2R,3S,6R)-2-(hydroxymethyl)-6-(4-propylphenyl)oxan-3-ol

(2R,3S,6R)-2-(hydroxymethyl)-6-(4-propylphenyl)oxan-3-ol (PubChem CID 131853539) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is (2R,3S,6R)-2-(hydroxymethyl)-6-(4-propylphenyl)oxan-3-ol.

Molecular Properties

Compound Name(2R,3S,6R)-2-(hydroxymethyl)-6-(4-propylphenyl)oxan-3-ol
PubChem CID131853539
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name(2R,3S,6R)-2-(hydroxymethyl)-6-(4-propylphenyl)oxan-3-ol
SMILESCCCc1ccc([C@H]2CC[C@H](O)[C@@H](CO)O2)cc1
InChIInChI=1S/C15H22O3/c1-2-3-11-4-6-12(7-5-11)14-9-8-13(17)15(10-16)18-14/h4-7,13-17H,2-3,8-10H2,1H3/t13-,14+,15+/m0/s1
InChIKeyBUNZRLLNJZETBT-RRFJBIMHSA-N
XLogP2.21
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,6R)-2-(hydroxymethyl)-6-(4-propylphenyl)oxan-3-ol?
The IUPAC name of (2R,3S,6R)-2-(hydroxymethyl)-6-(4-propylphenyl)oxan-3-ol (CID 131853539) is (2R,3S,6R)-2-(hydroxymethyl)-6-(4-propylphenyl)oxan-3-ol.
What is the SMILES notation for (2R,3S,6R)-2-(hydroxymethyl)-6-(4-propylphenyl)oxan-3-ol?
The canonical SMILES for (2R,3S,6R)-2-(hydroxymethyl)-6-(4-propylphenyl)oxan-3-ol is CCCc1ccc([C@H]2CC[C@H](O)[C@@H](CO)O2)cc1.
What is the InChIKey of (2R,3S,6R)-2-(hydroxymethyl)-6-(4-propylphenyl)oxan-3-ol?
The InChIKey is BUNZRLLNJZETBT-RRFJBIMHSA-N. The full InChI is InChI=1S/C15H22O3/c1-2-3-11-4-6-12(7-5-11)14-9-8-13(17)15(10-16)18-14/h4-7,13-17H,2-3,8-10H2,1H3/t13-,14+,15+/m0/s1.
What are the key properties of (2R,3S,6R)-2-(hydroxymethyl)-6-(4-propylphenyl)oxan-3-ol?
(2R,3S,6R)-2-(hydroxymethyl)-6-(4-propylphenyl)oxan-3-ol has a molecular weight of 250.34 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,6R)-2-(hydroxymethyl)-6-(4-propylphenyl)oxan-3-ol is sourced from PubChem (CID 131853539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).