5-(2-pentoxy-5-phenylphenyl)furan-2-carbaldehyde

C22H22O3 — CID 169333530

IUPAC5-(2-pentoxy-5-phenylphenyl)furan-2-carbaldehyde
SMILESCCCCCOc1ccc(-c2ccccc2)cc1-c1ccc(C=O)o1
InChIInChI=1S/C22H22O3/c1-2-3-7-14-24-21-12-10-18(17-8-5-4-6-9-17)15-20(21)22-13-11-19(16-23)25-22/h4-6,8-13,15-16H,2-3,7,14H2,1H3
InChIKeyLCSOVQOIZREEGO-UHFFFAOYSA-N
MW334.42 g/mol
LogP6.00
Rot. Bonds8

About 5-(2-pentoxy-5-phenylphenyl)furan-2-carbaldehyde

5-(2-pentoxy-5-phenylphenyl)furan-2-carbaldehyde (PubChem CID 169333530) has the molecular formula C22H22O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 5-(2-pentoxy-5-phenylphenyl)furan-2-carbaldehyde.

Molecular Properties

Compound Name5-(2-pentoxy-5-phenylphenyl)furan-2-carbaldehyde
PubChem CID169333530
Molecular FormulaC22H22O3
Molecular Weight334.42 g/mol
Exact Mass334.16
IUPAC Name5-(2-pentoxy-5-phenylphenyl)furan-2-carbaldehyde
SMILESCCCCCOc1ccc(-c2ccccc2)cc1-c1ccc(C=O)o1
InChIInChI=1S/C22H22O3/c1-2-3-7-14-24-21-12-10-18(17-8-5-4-6-9-17)15-20(21)22-13-11-19(16-23)25-22/h4-6,8-13,15-16H,2-3,7,14H2,1H3
InChIKeyLCSOVQOIZREEGO-UHFFFAOYSA-N
XLogP6.00
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.42
LogP ≤ 56.00
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

Visnagin
CID 6716
Karanjin
CID 100633
Pongamol
CID 689051
1-Benzofuran-5-carbaldehyde
CID 2773875
Lanceolatin B
CID 10978265
4'-Methoxy-Aurone
CID 642384
Naphtho(2,3-b)furan-4,9-dione
CID 79740
CID 5320675
CID 5320675
5-Acetylspiro(benzofuran-2(3H),1'-cyclopropan)-3-one
CID 71755
(E)-3-(3-ethenylphenyl)-1-(2-ethoxyphenyl)prop-2-en-1-one
CID 118732199
5-Methoxy-2-phenyl-4H-furo[2,3-h][1]benzopyran-4-one
CID 15232378
Pongol methyl ether
CID 636768

Frequently Asked Questions

What is the IUPAC name of 5-(2-pentoxy-5-phenylphenyl)furan-2-carbaldehyde?
The IUPAC name of 5-(2-pentoxy-5-phenylphenyl)furan-2-carbaldehyde (CID 169333530) is 5-(2-pentoxy-5-phenylphenyl)furan-2-carbaldehyde.
What is the SMILES notation for 5-(2-pentoxy-5-phenylphenyl)furan-2-carbaldehyde?
The canonical SMILES for 5-(2-pentoxy-5-phenylphenyl)furan-2-carbaldehyde is CCCCCOc1ccc(-c2ccccc2)cc1-c1ccc(C=O)o1.
What is the InChIKey of 5-(2-pentoxy-5-phenylphenyl)furan-2-carbaldehyde?
The InChIKey is LCSOVQOIZREEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O3/c1-2-3-7-14-24-21-12-10-18(17-8-5-4-6-9-17)15-20(21)22-13-11-19(16-23)25-22/h4-6,8-13,15-16H,2-3,7,14H2,1H3.
What are the key properties of 5-(2-pentoxy-5-phenylphenyl)furan-2-carbaldehyde?
5-(2-pentoxy-5-phenylphenyl)furan-2-carbaldehyde has a molecular weight of 334.42 g/mol, XLogP of 6.00, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-pentoxy-5-phenylphenyl)furan-2-carbaldehyde is sourced from PubChem (CID 169333530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).