2-fluoro-6-[(2-phenylcyclohexen-1-yl)methoxy]benzaldehyde

C20H19FO2 — CID 90426997

IUPAC2-fluoro-6-[(2-phenylcyclohexen-1-yl)methoxy]benzaldehyde
SMILESO=Cc1c(F)cccc1OCC1=C(c2ccccc2)CCCC1
InChIInChI=1S/C20H19FO2/c21-19-11-6-12-20(18(19)13-22)23-14-16-9-4-5-10-17(16)15-7-2-1-3-8-15/h1-3,6-8,11-13H,4-5,9-10,14H2
InChIKeyMVOSOBMNNOJAJX-UHFFFAOYSA-N
MW310.37 g/mol
LogP5.04
Rot. Bonds5

About 2-fluoro-6-[(2-phenylcyclohexen-1-yl)methoxy]benzaldehyde

2-fluoro-6-[(2-phenylcyclohexen-1-yl)methoxy]benzaldehyde (PubChem CID 90426997) has the molecular formula C20H19FO2 and a molecular weight of 310.37 g/mol. Its IUPAC name is 2-fluoro-6-[(2-phenylcyclohexen-1-yl)methoxy]benzaldehyde.

Molecular Properties

Compound Name2-fluoro-6-[(2-phenylcyclohexen-1-yl)methoxy]benzaldehyde
PubChem CID90426997
Molecular FormulaC20H19FO2
Molecular Weight310.37 g/mol
Exact Mass310.14
IUPAC Name2-fluoro-6-[(2-phenylcyclohexen-1-yl)methoxy]benzaldehyde
SMILESO=Cc1c(F)cccc1OCC1=C(c2ccccc2)CCCC1
InChIInChI=1S/C20H19FO2/c21-19-11-6-12-20(18(19)13-22)23-14-16-9-4-5-10-17(16)15-7-2-1-3-8-15/h1-3,6-8,11-13H,4-5,9-10,14H2
InChIKeyMVOSOBMNNOJAJX-UHFFFAOYSA-N
XLogP5.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.37
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[(2-phenylcyclohexen-1-yl)methoxy]benzaldehyde?
The IUPAC name of 2-fluoro-6-[(2-phenylcyclohexen-1-yl)methoxy]benzaldehyde (CID 90426997) is 2-fluoro-6-[(2-phenylcyclohexen-1-yl)methoxy]benzaldehyde.
What is the SMILES notation for 2-fluoro-6-[(2-phenylcyclohexen-1-yl)methoxy]benzaldehyde?
The canonical SMILES for 2-fluoro-6-[(2-phenylcyclohexen-1-yl)methoxy]benzaldehyde is O=Cc1c(F)cccc1OCC1=C(c2ccccc2)CCCC1.
What is the InChIKey of 2-fluoro-6-[(2-phenylcyclohexen-1-yl)methoxy]benzaldehyde?
The InChIKey is MVOSOBMNNOJAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FO2/c21-19-11-6-12-20(18(19)13-22)23-14-16-9-4-5-10-17(16)15-7-2-1-3-8-15/h1-3,6-8,11-13H,4-5,9-10,14H2.
What are the key properties of 2-fluoro-6-[(2-phenylcyclohexen-1-yl)methoxy]benzaldehyde?
2-fluoro-6-[(2-phenylcyclohexen-1-yl)methoxy]benzaldehyde has a molecular weight of 310.37 g/mol, XLogP of 5.04, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[(2-phenylcyclohexen-1-yl)methoxy]benzaldehyde is sourced from PubChem (CID 90426997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).