5-(4-pentoxyphenyl)furan-2-carbaldehyde

C16H18O3 — CID 169333298

IUPAC5-(4-pentoxyphenyl)furan-2-carbaldehyde
SMILESCCCCCOc1ccc(-c2ccc(C=O)o2)cc1
InChIInChI=1S/C16H18O3/c1-2-3-4-11-18-14-7-5-13(6-8-14)16-10-9-15(12-17)19-16/h5-10,12H,2-4,11H2,1H3
InChIKeyMDIXVBZFYQGBQP-UHFFFAOYSA-N
MW258.32 g/mol
LogP4.33
Rot. Bonds7

About 5-(4-pentoxyphenyl)furan-2-carbaldehyde

5-(4-pentoxyphenyl)furan-2-carbaldehyde (PubChem CID 169333298) has the molecular formula C16H18O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is 5-(4-pentoxyphenyl)furan-2-carbaldehyde.

Molecular Properties

Compound Name5-(4-pentoxyphenyl)furan-2-carbaldehyde
PubChem CID169333298
Molecular FormulaC16H18O3
Molecular Weight258.32 g/mol
Exact Mass258.13
IUPAC Name5-(4-pentoxyphenyl)furan-2-carbaldehyde
SMILESCCCCCOc1ccc(-c2ccc(C=O)o2)cc1
InChIInChI=1S/C16H18O3/c1-2-3-4-11-18-14-7-5-13(6-8-14)16-10-9-15(12-17)19-16/h5-10,12H,2-4,11H2,1H3
InChIKeyMDIXVBZFYQGBQP-UHFFFAOYSA-N
XLogP4.33
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

5-[4-(3-phenylpropoxy)phenyl]furan-2-carbaldehyde
CID 169333226
5-(4-hexoxyphenyl)sulfonylfuran-2-carbaldehyde
CID 82368737
5-(2-pentoxy-5-phenylphenyl)furan-2-carbaldehyde
CID 169333530
1-heptoxy-4-(4-heptoxyphenyl)benzene
CID 53405189
1-hexadecoxy-4-(4-hexadecoxyphenyl)benzene
CID 100970451
1,4-dipentoxybenzene
CID 18314717
4-icosoxybenzaldehyde
CID 23127488
5-(4-ethylphenyl)furan-2-carbaldehyde;methanol
CID 142207596
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
2-(4-decoxyphenyl)pyrimidine-5-carbaldehyde
CID 139641868
(4-decoxyphenyl) formate
CID 54244817

Frequently Asked Questions

What is the IUPAC name of 5-(4-pentoxyphenyl)furan-2-carbaldehyde?
The IUPAC name of 5-(4-pentoxyphenyl)furan-2-carbaldehyde (CID 169333298) is 5-(4-pentoxyphenyl)furan-2-carbaldehyde.
What is the SMILES notation for 5-(4-pentoxyphenyl)furan-2-carbaldehyde?
The canonical SMILES for 5-(4-pentoxyphenyl)furan-2-carbaldehyde is CCCCCOc1ccc(-c2ccc(C=O)o2)cc1.
What is the InChIKey of 5-(4-pentoxyphenyl)furan-2-carbaldehyde?
The InChIKey is MDIXVBZFYQGBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O3/c1-2-3-4-11-18-14-7-5-13(6-8-14)16-10-9-15(12-17)19-16/h5-10,12H,2-4,11H2,1H3.
What are the key properties of 5-(4-pentoxyphenyl)furan-2-carbaldehyde?
5-(4-pentoxyphenyl)furan-2-carbaldehyde has a molecular weight of 258.32 g/mol, XLogP of 4.33, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-pentoxyphenyl)furan-2-carbaldehyde is sourced from PubChem (CID 169333298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).