5-(2-cyclohexyloxy-5-fluorophenyl)furan-2-carbaldehyde

C17H17FO3 — CID 169334022

IUPAC5-(2-cyclohexyloxy-5-fluorophenyl)furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2cc(F)ccc2OC2CCCCC2)o1
InChIInChI=1S/C17H17FO3/c18-12-6-8-16(20-13-4-2-1-3-5-13)15(10-12)17-9-7-14(11-19)21-17/h6-11,13H,1-5H2
InChIKeyOVYQSOKXGMGCAG-UHFFFAOYSA-N
MW288.32 g/mol
LogP4.61
Rot. Bonds4

About 5-(2-cyclohexyloxy-5-fluorophenyl)furan-2-carbaldehyde

5-(2-cyclohexyloxy-5-fluorophenyl)furan-2-carbaldehyde (PubChem CID 169334022) has the molecular formula C17H17FO3 and a molecular weight of 288.32 g/mol. Its IUPAC name is 5-(2-cyclohexyloxy-5-fluorophenyl)furan-2-carbaldehyde.

Molecular Properties

Compound Name5-(2-cyclohexyloxy-5-fluorophenyl)furan-2-carbaldehyde
PubChem CID169334022
Molecular FormulaC17H17FO3
Molecular Weight288.32 g/mol
Exact Mass288.12
IUPAC Name5-(2-cyclohexyloxy-5-fluorophenyl)furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2cc(F)ccc2OC2CCCCC2)o1
InChIInChI=1S/C17H17FO3/c18-12-6-8-16(20-13-4-2-1-3-5-13)15(10-12)17-9-7-14(11-19)21-17/h6-11,13H,1-5H2
InChIKeyOVYQSOKXGMGCAG-UHFFFAOYSA-N
XLogP4.61
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(5-fluoro-2-pyrrolidin-1-ylphenyl)furan-2-carbaldehyde
CID 169334507
5-[5-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]furan-2-carbaldehyde
CID 169334696
5-[5-fluoro-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]furan-2-carbaldehyde
CID 169334136
(2-cyclohexyloxy-5-fluorophenyl)-trifluoroboranuide
CID 63705372
2-cyclohexyloxy-4-fluoro-1-methylbenzene
CID 102990540
5-(2-bromo-3,5-difluorophenyl)furan-2-carbaldehyde
CID 169332004
5-[4-(2,4-difluorophenyl)phenyl]furan-2-carbaldehyde
CID 169334405
5-[2-(difluoromethoxy)-5-(trifluoromethyl)phenyl]furan-2-carbaldehyde
CID 169335505
2-cyclobutyloxy-1,4-difluorobenzene
CID 130038404
5-[5-bromo-2-(trifluoromethoxy)phenyl]furan-2-carbaldehyde
CID 169336035
5-(3-bromo-5-fluoro-2-iodophenyl)furan-2-carbaldehyde
CID 169335394
2-azido-1-cyclohexyloxy-4-fluorobenzene
CID 151647198

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclohexyloxy-5-fluorophenyl)furan-2-carbaldehyde?
The IUPAC name of 5-(2-cyclohexyloxy-5-fluorophenyl)furan-2-carbaldehyde (CID 169334022) is 5-(2-cyclohexyloxy-5-fluorophenyl)furan-2-carbaldehyde.
What is the SMILES notation for 5-(2-cyclohexyloxy-5-fluorophenyl)furan-2-carbaldehyde?
The canonical SMILES for 5-(2-cyclohexyloxy-5-fluorophenyl)furan-2-carbaldehyde is O=Cc1ccc(-c2cc(F)ccc2OC2CCCCC2)o1.
What is the InChIKey of 5-(2-cyclohexyloxy-5-fluorophenyl)furan-2-carbaldehyde?
The InChIKey is OVYQSOKXGMGCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO3/c18-12-6-8-16(20-13-4-2-1-3-5-13)15(10-12)17-9-7-14(11-19)21-17/h6-11,13H,1-5H2.
What are the key properties of 5-(2-cyclohexyloxy-5-fluorophenyl)furan-2-carbaldehyde?
5-(2-cyclohexyloxy-5-fluorophenyl)furan-2-carbaldehyde has a molecular weight of 288.32 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclohexyloxy-5-fluorophenyl)furan-2-carbaldehyde is sourced from PubChem (CID 169334022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).