(2R,3S,5R)-2-(hydroxymethyl)-5-phenanthren-1-yloxolan-3-ol

C19H18O3 — CID 23660970

IUPAC(2R,3S,5R)-2-(hydroxymethyl)-5-phenanthren-1-yloxolan-3-ol
SMILESOC[C@H]1O[C@@H](c2cccc3c2ccc2ccccc23)C[C@@H]1O
InChIInChI=1S/C19H18O3/c20-11-19-17(21)10-18(22-19)16-7-3-6-14-13-5-2-1-4-12(13)8-9-15(14)16/h1-9,17-21H,10-11H2/t17-,18+,19+/m0/s1
InChIKeyLRDPYZRWSDNAOZ-IPMKNSEASA-N
MW294.35 g/mol
LogP3.18
Rot. Bonds2

About (2R,3S,5R)-2-(hydroxymethyl)-5-phenanthren-1-yloxolan-3-ol

(2R,3S,5R)-2-(hydroxymethyl)-5-phenanthren-1-yloxolan-3-ol (PubChem CID 23660970) has the molecular formula C19H18O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is (2R,3S,5R)-2-(hydroxymethyl)-5-phenanthren-1-yloxolan-3-ol.

Molecular Properties

Compound Name(2R,3S,5R)-2-(hydroxymethyl)-5-phenanthren-1-yloxolan-3-ol
PubChem CID23660970
Molecular FormulaC19H18O3
Molecular Weight294.35 g/mol
Exact Mass294.13
IUPAC Name(2R,3S,5R)-2-(hydroxymethyl)-5-phenanthren-1-yloxolan-3-ol
SMILESOC[C@H]1O[C@@H](c2cccc3c2ccc2ccccc23)C[C@@H]1O
InChIInChI=1S/C19H18O3/c20-11-19-17(21)10-18(22-19)16-7-3-6-14-13-5-2-1-4-12(13)8-9-15(14)16/h1-9,17-21H,10-11H2/t17-,18+,19+/m0/s1
InChIKeyLRDPYZRWSDNAOZ-IPMKNSEASA-N
XLogP3.18
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,5R)-2-(hydroxymethyl)-5-phenanthren-1-yloxolan-3-ol?
The IUPAC name of (2R,3S,5R)-2-(hydroxymethyl)-5-phenanthren-1-yloxolan-3-ol (CID 23660970) is (2R,3S,5R)-2-(hydroxymethyl)-5-phenanthren-1-yloxolan-3-ol.
What is the SMILES notation for (2R,3S,5R)-2-(hydroxymethyl)-5-phenanthren-1-yloxolan-3-ol?
The canonical SMILES for (2R,3S,5R)-2-(hydroxymethyl)-5-phenanthren-1-yloxolan-3-ol is OC[C@H]1O[C@@H](c2cccc3c2ccc2ccccc23)C[C@@H]1O.
What is the InChIKey of (2R,3S,5R)-2-(hydroxymethyl)-5-phenanthren-1-yloxolan-3-ol?
The InChIKey is LRDPYZRWSDNAOZ-IPMKNSEASA-N. The full InChI is InChI=1S/C19H18O3/c20-11-19-17(21)10-18(22-19)16-7-3-6-14-13-5-2-1-4-12(13)8-9-15(14)16/h1-9,17-21H,10-11H2/t17-,18+,19+/m0/s1.
What are the key properties of (2R,3S,5R)-2-(hydroxymethyl)-5-phenanthren-1-yloxolan-3-ol?
(2R,3S,5R)-2-(hydroxymethyl)-5-phenanthren-1-yloxolan-3-ol has a molecular weight of 294.35 g/mol, XLogP of 3.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5R)-2-(hydroxymethyl)-5-phenanthren-1-yloxolan-3-ol is sourced from PubChem (CID 23660970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).