4-(5-phenoxy-1-benzofuran-2-yl)cyclohexane-1-carbaldehyde

C21H20O3 — CID 143467914

IUPAC4-(5-phenoxy-1-benzofuran-2-yl)cyclohexane-1-carbaldehyde
SMILESO=CC1CCC(c2cc3cc(Oc4ccccc4)ccc3o2)CC1
InChIInChI=1S/C21H20O3/c22-14-15-6-8-16(9-7-15)21-13-17-12-19(10-11-20(17)24-21)23-18-4-2-1-3-5-18/h1-5,10-16H,6-9H2
InChIKeyCFDNKAQJMAMIDQ-UHFFFAOYSA-N
MW320.39 g/mol
LogP5.70
Rot. Bonds4

About 4-(5-phenoxy-1-benzofuran-2-yl)cyclohexane-1-carbaldehyde

4-(5-phenoxy-1-benzofuran-2-yl)cyclohexane-1-carbaldehyde (PubChem CID 143467914) has the molecular formula C21H20O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 4-(5-phenoxy-1-benzofuran-2-yl)cyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name4-(5-phenoxy-1-benzofuran-2-yl)cyclohexane-1-carbaldehyde
PubChem CID143467914
Molecular FormulaC21H20O3
Molecular Weight320.39 g/mol
Exact Mass320.14
IUPAC Name4-(5-phenoxy-1-benzofuran-2-yl)cyclohexane-1-carbaldehyde
SMILESO=CC1CCC(c2cc3cc(Oc4ccccc4)ccc3o2)CC1
InChIInChI=1S/C21H20O3/c22-14-15-6-8-16(9-7-15)21-13-17-12-19(10-11-20(17)24-21)23-18-4-2-1-3-5-18/h1-5,10-16H,6-9H2
InChIKeyCFDNKAQJMAMIDQ-UHFFFAOYSA-N
XLogP5.70
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.39
LogP ≤ 55.70
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

N-[(5-phenoxy-1-benzofuran-2-yl)methyl]cyclopropanamine
CID 65440151
1-(2-cyclopropyl-1-benzofuran-5-yl)ethanamine
CID 134393277
1-(2-cyclopropyl-1-benzofuran-5-yl)ethanamine;ethane
CID 142317216
5-phenoxy-1,3-benzodioxole-2-thione
CID 86164143
3-methyl-3-(3-phenoxyphenyl)cyclobutane-1-carbaldehyde
CID 145039199
3-methoxy-3-(3-phenoxyphenyl)cyclobutane-1-carbaldehyde
CID 118951250
1-cyclohexyloxy-4-phenoxybenzene
CID 70600234
2-phenoxybenzo[c]chromen-6-one
CID 164686095
3-(1-benzofuran-2-yl)cyclopentan-1-amine
CID 112705606
5-pyridin-3-yloxy-1-benzofuran-2-carboxylic acid
CID 13343422
5-(4-naphthalen-2-yloxyphenyl)furan-2-carbaldehyde
CID 169334590
1,3,5-tris[4-(4-phenoxyphenoxy)phenoxy]benzene
CID 167430627

Frequently Asked Questions

What is the IUPAC name of 4-(5-phenoxy-1-benzofuran-2-yl)cyclohexane-1-carbaldehyde?
The IUPAC name of 4-(5-phenoxy-1-benzofuran-2-yl)cyclohexane-1-carbaldehyde (CID 143467914) is 4-(5-phenoxy-1-benzofuran-2-yl)cyclohexane-1-carbaldehyde.
What is the SMILES notation for 4-(5-phenoxy-1-benzofuran-2-yl)cyclohexane-1-carbaldehyde?
The canonical SMILES for 4-(5-phenoxy-1-benzofuran-2-yl)cyclohexane-1-carbaldehyde is O=CC1CCC(c2cc3cc(Oc4ccccc4)ccc3o2)CC1.
What is the InChIKey of 4-(5-phenoxy-1-benzofuran-2-yl)cyclohexane-1-carbaldehyde?
The InChIKey is CFDNKAQJMAMIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O3/c22-14-15-6-8-16(9-7-15)21-13-17-12-19(10-11-20(17)24-21)23-18-4-2-1-3-5-18/h1-5,10-16H,6-9H2.
What are the key properties of 4-(5-phenoxy-1-benzofuran-2-yl)cyclohexane-1-carbaldehyde?
4-(5-phenoxy-1-benzofuran-2-yl)cyclohexane-1-carbaldehyde has a molecular weight of 320.39 g/mol, XLogP of 5.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-phenoxy-1-benzofuran-2-yl)cyclohexane-1-carbaldehyde is sourced from PubChem (CID 143467914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).