4-fluorobenzaldehyde;[(2S,3R)-2-(4-fluorophenyl)-4-methylideneoxolan-3-yl]methanol;4-methoxybenzaldehyde;[(2S,3R)-2-(4-methoxyphenyl)-4-methylideneoxolan-3-yl]methanol;[(2S,3R)-4-methylidene-2-phenyloxolan-3-yl]methanol;1-phenylprop-2-en-1-ol

C61H66F2O11 — CID 157340879

About 4-fluorobenzaldehyde;[(2S,3R)-2-(4-fluorophenyl)-4-methylideneoxolan-3-yl]methanol;4-methoxybenzaldehyde;[(2S,3R)-2-(4-methoxyphenyl)-4-methylideneoxolan-3-yl]methanol;[(2S,3R)-4-methylidene-2-phenyloxolan-3-yl]methanol;1-phenylprop-2-en-1-ol

4-fluorobenzaldehyde;[(2S,3R)-2-(4-fluorophenyl)-4-methylideneoxolan-3-yl]methanol;4-methoxybenzaldehyde;[(2S,3R)-2-(4-methoxyphenyl)-4-methylideneoxolan-3-yl]methanol;[(2S,3R)-4-methylidene-2-phenyloxolan-3-yl]methanol;1-phenylprop-2-en-1-ol (PubChem CID 157340879) has the molecular formula C61H66F2O11 and a molecular weight of 1013.18 g/mol. Its IUPAC name is 4-fluorobenzaldehyde;[(2S,3R)-2-(4-fluorophenyl)-4-methylideneoxolan-3-yl]methanol;4-methoxybenzaldehyde;[(2S,3R)-2-(4-methoxyphenyl)-4-methylideneoxolan-3-yl]methanol;[(2S,3R)-4-methylidene-2-phenyloxolan-3-yl]methanol;1-phenylprop-2-en-1-ol.

Molecular Properties

• Compound Name: 4-fluorobenzaldehyde;[(2S,3R)-2-(4-fluorophenyl)-4-methylideneoxolan-3-yl]methanol;4-methoxybenzaldehyde;[(2S,3R)-2-(4-methoxyphenyl)-4-methylideneoxolan-3-yl]methanol;[(2S,3R)-4-methylidene-2-phenyloxolan-3-yl]methanol;1-phenylprop-2-en-1-ol
• PubChem CID: 157340879
• Molecular Formula: C61H66F2O11
• Molecular Weight: 1013.18 g/mol
• Exact Mass: 1012.46
• IUPAC Name: 4-fluorobenzaldehyde;[(2S,3R)-2-(4-fluorophenyl)-4-methylideneoxolan-3-yl]methanol;4-methoxybenzaldehyde;[(2S,3R)-2-(4-methoxyphenyl)-4-methylideneoxolan-3-yl]methanol;[(2S,3R)-4-methylidene-2-phenyloxolan-3-yl]methanol;1-phenylprop-2-en-1-ol
• SMILES: C=C1CO[C@H](c2ccc(F)cc2)[C@H]1CO.C=C1CO[C@H](c2ccc(OC)cc2)[C@H]1CO.C=C1CO[C@H](c2ccccc2)[C@H]1CO.C=CC(O)c1ccccc1.COc1ccc(C=O)cc1.O=Cc1ccc(F)cc1
• InChI: InChI=1S/C13H16O3.C12H13FO2.C12H14O2.C9H10O.C8H8O2.C7H5FO/c1-9-8-16-13(12(9)7-14)10-3-5-11(15-2)6-4-10;1-8-7-15-12(11(8)6-14)9-2-4-10(13)5-3-9;1-9-8-14-12(11(9)7-13)10-5-3-2-4-6-10;1-2-9(10)8-6-4-3-5-7-8;1-10-8-4-2-7(6-9)3-5-8;8-7-3-1-6(5-9)2-4-7/h3-6,12-14H,1,7-8H2,2H3;2-5,11-12,14H,1,6-7H2;2-6,11-13H,1,7-8H2;2-7,9-10H,1H2;2-6H,1H3;1-5H/t12-,13+;2*11-,12+;;;/m000.../s1
• InChIKey: BGJLYIJJIFZHKF-HYRGJSLVSA-N
• XLogP: 10.97
• TPSA: 161.21 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 12
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1013.18
LogP ≤ 5	10.97
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-fluorobenzaldehyde;[(2S,3R)-2-(4-fluorophenyl)-4-methylideneoxolan-3-yl]methanol;4-methoxybenzaldehyde;[(2S,3R)-2-(4-methoxyphenyl)-4-methylideneoxolan-3-yl]methanol;[(2S,3R)-4-methylidene-2-phenyloxolan-3-yl]methanol;1-phenylprop-2-en-1-ol?

The IUPAC name of 4-fluorobenzaldehyde;[(2S,3R)-2-(4-fluorophenyl)-4-methylideneoxolan-3-yl]methanol;4-methoxybenzaldehyde;[(2S,3R)-2-(4-methoxyphenyl)-4-methylideneoxolan-3-yl]methanol;[(2S,3R)-4-methylidene-2-phenyloxolan-3-yl]methanol;1-phenylprop-2-en-1-ol (CID 157340879) is 4-fluorobenzaldehyde;[(2S,3R)-2-(4-fluorophenyl)-4-methylideneoxolan-3-yl]methanol;4-methoxybenzaldehyde;[(2S,3R)-2-(4-methoxyphenyl)-4-methylideneoxolan-3-yl]methanol;[(2S,3R)-4-methylidene-2-phenyloxolan-3-yl]methanol;1-phenylprop-2-en-1-ol.

What is the SMILES notation for 4-fluorobenzaldehyde;[(2S,3R)-2-(4-fluorophenyl)-4-methylideneoxolan-3-yl]methanol;4-methoxybenzaldehyde;[(2S,3R)-2-(4-methoxyphenyl)-4-methylideneoxolan-3-yl]methanol;[(2S,3R)-4-methylidene-2-phenyloxolan-3-yl]methanol;1-phenylprop-2-en-1-ol?

The canonical SMILES for 4-fluorobenzaldehyde;[(2S,3R)-2-(4-fluorophenyl)-4-methylideneoxolan-3-yl]methanol;4-methoxybenzaldehyde;[(2S,3R)-2-(4-methoxyphenyl)-4-methylideneoxolan-3-yl]methanol;[(2S,3R)-4-methylidene-2-phenyloxolan-3-yl]methanol;1-phenylprop-2-en-1-ol is C=C1CO[C@H](c2ccc(F)cc2)[C@H]1CO.C=C1CO[C@H](c2ccc(OC)cc2)[C@H]1CO.C=C1CO[C@H](c2ccccc2)[C@H]1CO.C=CC(O)c1ccccc1.COc1ccc(C=O)cc1.O=Cc1ccc(F)cc1.

What is the InChIKey of 4-fluorobenzaldehyde;[(2S,3R)-2-(4-fluorophenyl)-4-methylideneoxolan-3-yl]methanol;4-methoxybenzaldehyde;[(2S,3R)-2-(4-methoxyphenyl)-4-methylideneoxolan-3-yl]methanol;[(2S,3R)-4-methylidene-2-phenyloxolan-3-yl]methanol;1-phenylprop-2-en-1-ol?

The InChIKey is BGJLYIJJIFZHKF-HYRGJSLVSA-N. The full InChI is InChI=1S/C13H16O3.C12H13FO2.C12H14O2.C9H10O.C8H8O2.C7H5FO/c1-9-8-16-13(12(9)7-14)10-3-5-11(15-2)6-4-10;1-8-7-15-12(11(8)6-14)9-2-4-10(13)5-3-9;1-9-8-14-12(11(9)7-13)10-5-3-2-4-6-10;1-2-9(10)8-6-4-3-5-7-8;1-10-8-4-2-7(6-9)3-5-8;8-7-3-1-6(5-9)2-4-7/h3-6,12-14H,1,7-8H2,2H3;2-5,11-12,14H,1,6-7H2;2-6,11-13H,1,7-8H2;2-7,9-10H,1H2;2-6H,1H3;1-5H/t12-,13+;2*11-,12+;;;/m000.../s1.

What are the key properties of 4-fluorobenzaldehyde;[(2S,3R)-2-(4-fluorophenyl)-4-methylideneoxolan-3-yl]methanol;4-methoxybenzaldehyde;[(2S,3R)-2-(4-methoxyphenyl)-4-methylideneoxolan-3-yl]methanol;[(2S,3R)-4-methylidene-2-phenyloxolan-3-yl]methanol;1-phenylprop-2-en-1-ol?

4-fluorobenzaldehyde;[(2S,3R)-2-(4-fluorophenyl)-4-methylideneoxolan-3-yl]methanol;4-methoxybenzaldehyde;[(2S,3R)-2-(4-methoxyphenyl)-4-methylideneoxolan-3-yl]methanol;[(2S,3R)-4-methylidene-2-phenyloxolan-3-yl]methanol;1-phenylprop-2-en-1-ol has a molecular weight of 1013.18 g/mol, XLogP of 10.97, 12 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 4-fluorobenzaldehyde;[(2S,3R)-2-(4-fluorophenyl)-4-methylideneoxolan-3-yl]methanol;4-methoxybenzaldehyde;[(2S,3R)-2-(4-methoxyphenyl)-4-methylideneoxolan-3-yl]methanol;[(2S,3R)-4-methylidene-2-phenyloxolan-3-yl]methanol;1-phenylprop-2-en-1-ol is sourced from PubChem (CID 157340879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).