3-(3-nonylphenyl)furan-2-carbaldehyde

C20H26O2 — CID 151941952

IUPAC3-(3-nonylphenyl)furan-2-carbaldehyde
SMILESCCCCCCCCCc1cccc(-c2ccoc2C=O)c1
InChIInChI=1S/C20H26O2/c1-2-3-4-5-6-7-8-10-17-11-9-12-18(15-17)19-13-14-22-20(19)16-21/h9,11-16H,2-8,10H2,1H3
InChIKeyTUWGBFJFHDIVLP-UHFFFAOYSA-N
MW298.43 g/mol
LogP6.05
Rot. Bonds10

About 3-(3-nonylphenyl)furan-2-carbaldehyde

3-(3-nonylphenyl)furan-2-carbaldehyde (PubChem CID 151941952) has the molecular formula C20H26O2 and a molecular weight of 298.43 g/mol. Its IUPAC name is 3-(3-nonylphenyl)furan-2-carbaldehyde.

Molecular Properties

Compound Name3-(3-nonylphenyl)furan-2-carbaldehyde
PubChem CID151941952
Molecular FormulaC20H26O2
Molecular Weight298.43 g/mol
Exact Mass298.19
IUPAC Name3-(3-nonylphenyl)furan-2-carbaldehyde
SMILESCCCCCCCCCc1cccc(-c2ccoc2C=O)c1
InChIInChI=1S/C20H26O2/c1-2-3-4-5-6-7-8-10-17-11-9-12-18(15-17)19-13-14-22-20(19)16-21/h9,11-16H,2-8,10H2,1H3
InChIKeyTUWGBFJFHDIVLP-UHFFFAOYSA-N
XLogP6.05
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.43
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,3-di(tetradecyl)benzene
CID 91053224
4-(3-hexylphenyl)pyridine-2-carbaldehyde
CID 54188949
acetaldehyde;1-methyl-3-(3-octylphenyl)benzene
CID 142319117
1-bromo-4-octyl-2-(3-octylphenyl)benzene
CID 141358337
3-dodecylfuran-2-carbaldehyde
CID 54442257
1-benzyl-3-pentadecylbenzene
CID 173121378
1-hexyl-3-(2-propan-2-ylphenyl)benzene
CID 173321287
1-butyl-3-(4-pentylphenyl)benzene
CID 123269594
1,3-bis[(4-dodecylphenyl)methyl]benzene
CID 58298682
2-octylazulene
CID 101406191
3-(3-butylphenyl)indole-1-carbaldehyde
CID 169241923
6-(3-hexylphenyl)pentaphene
CID 173214415

Frequently Asked Questions

What is the IUPAC name of 3-(3-nonylphenyl)furan-2-carbaldehyde?
The IUPAC name of 3-(3-nonylphenyl)furan-2-carbaldehyde (CID 151941952) is 3-(3-nonylphenyl)furan-2-carbaldehyde.
What is the SMILES notation for 3-(3-nonylphenyl)furan-2-carbaldehyde?
The canonical SMILES for 3-(3-nonylphenyl)furan-2-carbaldehyde is CCCCCCCCCc1cccc(-c2ccoc2C=O)c1.
What is the InChIKey of 3-(3-nonylphenyl)furan-2-carbaldehyde?
The InChIKey is TUWGBFJFHDIVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O2/c1-2-3-4-5-6-7-8-10-17-11-9-12-18(15-17)19-13-14-22-20(19)16-21/h9,11-16H,2-8,10H2,1H3.
What are the key properties of 3-(3-nonylphenyl)furan-2-carbaldehyde?
3-(3-nonylphenyl)furan-2-carbaldehyde has a molecular weight of 298.43 g/mol, XLogP of 6.05, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-nonylphenyl)furan-2-carbaldehyde is sourced from PubChem (CID 151941952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).