4-pentyl-8-phenylfuro[2,3-h]chromen-2-one

C22H20O3 — CID 57341440

IUPAC4-pentyl-8-phenylfuro[2,3-h]chromen-2-one
SMILESCCCCCc1cc(=O)oc2c1ccc1oc(-c3ccccc3)cc12
InChIInChI=1S/C22H20O3/c1-2-3-5-10-16-13-21(23)25-22-17(16)11-12-19-18(22)14-20(24-19)15-8-6-4-7-9-15/h4,6-9,11-14H,2-3,5,10H2,1H3
InChIKeyMRWQOAJGPQXHIS-UHFFFAOYSA-N
MW332.40 g/mol
LogP5.94
Rot. Bonds5

About 4-pentyl-8-phenylfuro[2,3-h]chromen-2-one

4-pentyl-8-phenylfuro[2,3-h]chromen-2-one (PubChem CID 57341440) has the molecular formula C22H20O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 4-pentyl-8-phenylfuro[2,3-h]chromen-2-one.

Molecular Properties

Compound Name4-pentyl-8-phenylfuro[2,3-h]chromen-2-one
PubChem CID57341440
Molecular FormulaC22H20O3
Molecular Weight332.40 g/mol
Exact Mass332.14
IUPAC Name4-pentyl-8-phenylfuro[2,3-h]chromen-2-one
SMILESCCCCCc1cc(=O)oc2c1ccc1oc(-c3ccccc3)cc12
InChIInChI=1S/C22H20O3/c1-2-3-5-10-16-13-21(23)25-22-17(16)11-12-19-18(22)14-20(24-19)15-8-6-4-7-9-15/h4,6-9,11-14H,2-3,5,10H2,1H3
InChIKeyMRWQOAJGPQXHIS-UHFFFAOYSA-N
XLogP5.94
TPSA43.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.40
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 87859021
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CID 118651575
4-butyl-8-methyl-7-phenylmethoxychromen-2-one
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CID 139771377
7-amino-4-heptadecylchromen-2-one
CID 170453027
3-methyl-2-pentyl-5-phenylfuran
CID 10823258
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CID 6613363
3-hexyl-5-(4-methylphenyl)-2-phenylfuran
CID 102103698
7-hexyl-5,6-dihydroxy-4-phenylchromen-2-one
CID 134912197
7-(3-bromopropoxy)-4-heptylchromen-2-one
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CID 140702855

Frequently Asked Questions

What is the IUPAC name of 4-pentyl-8-phenylfuro[2,3-h]chromen-2-one?
The IUPAC name of 4-pentyl-8-phenylfuro[2,3-h]chromen-2-one (CID 57341440) is 4-pentyl-8-phenylfuro[2,3-h]chromen-2-one.
What is the SMILES notation for 4-pentyl-8-phenylfuro[2,3-h]chromen-2-one?
The canonical SMILES for 4-pentyl-8-phenylfuro[2,3-h]chromen-2-one is CCCCCc1cc(=O)oc2c1ccc1oc(-c3ccccc3)cc12.
What is the InChIKey of 4-pentyl-8-phenylfuro[2,3-h]chromen-2-one?
The InChIKey is MRWQOAJGPQXHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O3/c1-2-3-5-10-16-13-21(23)25-22-17(16)11-12-19-18(22)14-20(24-19)15-8-6-4-7-9-15/h4,6-9,11-14H,2-3,5,10H2,1H3.
What are the key properties of 4-pentyl-8-phenylfuro[2,3-h]chromen-2-one?
4-pentyl-8-phenylfuro[2,3-h]chromen-2-one has a molecular weight of 332.40 g/mol, XLogP of 5.94, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentyl-8-phenylfuro[2,3-h]chromen-2-one is sourced from PubChem (CID 57341440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).