(3S,6R)-6-(4-fluorophenyl)-4-propan-2-ylideneoxan-3-ol

C14H17FO2 — CID 71608287

IUPAC(3S,6R)-6-(4-fluorophenyl)-4-propan-2-ylideneoxan-3-ol
SMILESCC(C)=C1C[C@H](c2ccc(F)cc2)OC[C@H]1O
InChIInChI=1S/C14H17FO2/c1-9(2)12-7-14(17-8-13(12)16)10-3-5-11(15)6-4-10/h3-6,13-14,16H,7-8H2,1-2H3/t13-,14-/m1/s1
InChIKeyHMEYZLVYBVQEDW-ZIAGYGMSSA-N
MW236.29 g/mol
LogP2.98
Rot. Bonds1

About (3S,6R)-6-(4-fluorophenyl)-4-propan-2-ylideneoxan-3-ol

(3S,6R)-6-(4-fluorophenyl)-4-propan-2-ylideneoxan-3-ol (PubChem CID 71608287) has the molecular formula C14H17FO2 and a molecular weight of 236.29 g/mol. Its IUPAC name is (3S,6R)-6-(4-fluorophenyl)-4-propan-2-ylideneoxan-3-ol.

Molecular Properties

Compound Name(3S,6R)-6-(4-fluorophenyl)-4-propan-2-ylideneoxan-3-ol
PubChem CID71608287
Molecular FormulaC14H17FO2
Molecular Weight236.29 g/mol
Exact Mass236.12
IUPAC Name(3S,6R)-6-(4-fluorophenyl)-4-propan-2-ylideneoxan-3-ol
SMILESCC(C)=C1C[C@H](c2ccc(F)cc2)OC[C@H]1O
InChIInChI=1S/C14H17FO2/c1-9(2)12-7-14(17-8-13(12)16)10-3-5-11(15)6-4-10/h3-6,13-14,16H,7-8H2,1-2H3/t13-,14-/m1/s1
InChIKeyHMEYZLVYBVQEDW-ZIAGYGMSSA-N
XLogP2.98
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 89553
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2-[2-(Benzyloxy)ethoxy]ethan-1-ol
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1-(Benzyloxy)propan-2-ol
CID 295955
D-Ribitol, 1,4-anhydro-1-C-phenyl-, (1S)-
CID 5271317
3-(Benzyloxy)propane-1,2-diol
CID 6950841
Benzeneethanol, beta-methoxy-
CID 102910
2H-Pyran, tetrahydro-2-methyl-4-methylene-6-phenyl-
CID 121777
(2S,3R,4R,5S,6R)-2-(3-benzylphenyl)-6-(hydroxymethyl)-tetrahydro-2H-pyran-3,4,5-triol
CID 10125816
2-(Phenylmethoxy)-1,3-propanediol
CID 203567
(R)-(-)-2-Methoxy-2-phenylethanol
CID 6950345

Frequently Asked Questions

What is the IUPAC name of (3S,6R)-6-(4-fluorophenyl)-4-propan-2-ylideneoxan-3-ol?
The IUPAC name of (3S,6R)-6-(4-fluorophenyl)-4-propan-2-ylideneoxan-3-ol (CID 71608287) is (3S,6R)-6-(4-fluorophenyl)-4-propan-2-ylideneoxan-3-ol.
What is the SMILES notation for (3S,6R)-6-(4-fluorophenyl)-4-propan-2-ylideneoxan-3-ol?
The canonical SMILES for (3S,6R)-6-(4-fluorophenyl)-4-propan-2-ylideneoxan-3-ol is CC(C)=C1C[C@H](c2ccc(F)cc2)OC[C@H]1O.
What is the InChIKey of (3S,6R)-6-(4-fluorophenyl)-4-propan-2-ylideneoxan-3-ol?
The InChIKey is HMEYZLVYBVQEDW-ZIAGYGMSSA-N. The full InChI is InChI=1S/C14H17FO2/c1-9(2)12-7-14(17-8-13(12)16)10-3-5-11(15)6-4-10/h3-6,13-14,16H,7-8H2,1-2H3/t13-,14-/m1/s1.
What are the key properties of (3S,6R)-6-(4-fluorophenyl)-4-propan-2-ylideneoxan-3-ol?
(3S,6R)-6-(4-fluorophenyl)-4-propan-2-ylideneoxan-3-ol has a molecular weight of 236.29 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6R)-6-(4-fluorophenyl)-4-propan-2-ylideneoxan-3-ol is sourced from PubChem (CID 71608287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).