(R)-phenyl-[(3R,5S,6S)-6-phenyl-5-prop-2-enyloxan-3-yl]methanol

C21H24O2 — CID 71819415

IUPAC(R)-phenyl-[(3R,5S,6S)-6-phenyl-5-prop-2-enyloxan-3-yl]methanol
SMILESC=CC[C@H]1C[C@@H]([C@@H](O)c2ccccc2)CO[C@@H]1c1ccccc1
InChIInChI=1S/C21H24O2/c1-2-9-18-14-19(20(22)16-10-5-3-6-11-16)15-23-21(18)17-12-7-4-8-13-17/h2-8,10-13,18-22H,1,9,14-15H2/t18-,19+,20-,21+/m0/s1
InChIKeyCHFAXZMFIJIBQC-JSXRDJHFSA-N
MW308.42 g/mol
LogP4.69
Rot. Bonds5

About (R)-phenyl-[(3R,5S,6S)-6-phenyl-5-prop-2-enyloxan-3-yl]methanol

(R)-phenyl-[(3R,5S,6S)-6-phenyl-5-prop-2-enyloxan-3-yl]methanol (PubChem CID 71819415) has the molecular formula C21H24O2 and a molecular weight of 308.42 g/mol. Its IUPAC name is (R)-phenyl-[(3R,5S,6S)-6-phenyl-5-prop-2-enyloxan-3-yl]methanol.

Molecular Properties

Compound Name(R)-phenyl-[(3R,5S,6S)-6-phenyl-5-prop-2-enyloxan-3-yl]methanol
PubChem CID71819415
Molecular FormulaC21H24O2
Molecular Weight308.42 g/mol
Exact Mass308.18
IUPAC Name(R)-phenyl-[(3R,5S,6S)-6-phenyl-5-prop-2-enyloxan-3-yl]methanol
SMILESC=CC[C@H]1C[C@@H]([C@@H](O)c2ccccc2)CO[C@@H]1c1ccccc1
InChIInChI=1S/C21H24O2/c1-2-9-18-14-19(20(22)16-10-5-3-6-11-16)15-23-21(18)17-12-7-4-8-13-17/h2-8,10-13,18-22H,1,9,14-15H2/t18-,19+,20-,21+/m0/s1
InChIKeyCHFAXZMFIJIBQC-JSXRDJHFSA-N
XLogP4.69
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (R)-phenyl-[(3R,5S,6S)-6-phenyl-5-prop-2-enyloxan-3-yl]methanol?
The IUPAC name of (R)-phenyl-[(3R,5S,6S)-6-phenyl-5-prop-2-enyloxan-3-yl]methanol (CID 71819415) is (R)-phenyl-[(3R,5S,6S)-6-phenyl-5-prop-2-enyloxan-3-yl]methanol.
What is the SMILES notation for (R)-phenyl-[(3R,5S,6S)-6-phenyl-5-prop-2-enyloxan-3-yl]methanol?
The canonical SMILES for (R)-phenyl-[(3R,5S,6S)-6-phenyl-5-prop-2-enyloxan-3-yl]methanol is C=CC[C@H]1C[C@@H]([C@@H](O)c2ccccc2)CO[C@@H]1c1ccccc1.
What is the InChIKey of (R)-phenyl-[(3R,5S,6S)-6-phenyl-5-prop-2-enyloxan-3-yl]methanol?
The InChIKey is CHFAXZMFIJIBQC-JSXRDJHFSA-N. The full InChI is InChI=1S/C21H24O2/c1-2-9-18-14-19(20(22)16-10-5-3-6-11-16)15-23-21(18)17-12-7-4-8-13-17/h2-8,10-13,18-22H,1,9,14-15H2/t18-,19+,20-,21+/m0/s1.
What are the key properties of (R)-phenyl-[(3R,5S,6S)-6-phenyl-5-prop-2-enyloxan-3-yl]methanol?
(R)-phenyl-[(3R,5S,6S)-6-phenyl-5-prop-2-enyloxan-3-yl]methanol has a molecular weight of 308.42 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-phenyl-[(3R,5S,6S)-6-phenyl-5-prop-2-enyloxan-3-yl]methanol is sourced from PubChem (CID 71819415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).