3-hydroxy-5-pentyl-2-phenylchromen-4-one

C20H20O3 — CID 67380018

IUPAC3-hydroxy-5-pentyl-2-phenylchromen-4-one
SMILESCCCCCc1cccc2oc(-c3ccccc3)c(O)c(=O)c12
InChIInChI=1S/C20H20O3/c1-2-3-5-9-14-12-8-13-16-17(14)18(21)19(22)20(23-16)15-10-6-4-7-11-15/h4,6-8,10-13,22H,2-3,5,9H2,1H3
InChIKeySGOWYSAZLMWBMB-UHFFFAOYSA-N
MW308.38 g/mol
LogP4.90
Rot. Bonds5

About 3-hydroxy-5-pentyl-2-phenylchromen-4-one

3-hydroxy-5-pentyl-2-phenylchromen-4-one (PubChem CID 67380018) has the molecular formula C20H20O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is 3-hydroxy-5-pentyl-2-phenylchromen-4-one.

Molecular Properties

Compound Name3-hydroxy-5-pentyl-2-phenylchromen-4-one
PubChem CID67380018
Molecular FormulaC20H20O3
Molecular Weight308.38 g/mol
Exact Mass308.14
IUPAC Name3-hydroxy-5-pentyl-2-phenylchromen-4-one
SMILESCCCCCc1cccc2oc(-c3ccccc3)c(O)c(=O)c12
InChIInChI=1S/C20H20O3/c1-2-3-5-9-14-12-8-13-16-17(14)18(21)19(22)20(23-16)15-10-6-4-7-11-15/h4,6-8,10-13,22H,2-3,5,9H2,1H3
InChIKeySGOWYSAZLMWBMB-UHFFFAOYSA-N
XLogP4.90
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxy-5-(3-methylbutyl)-2-phenylchromen-4-one
CID 168878132
N-(3-hydroxy-4-oxo-2-phenylchromen-5-yl)acetamide
CID 141231274
3-hydroxy-2-phenylchromen-4-one;iron
CID 161072875
7-hexyl-5,6-dihydroxy-4-phenylchromen-2-one
CID 134912197
3,5-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
CID 5393154
3,5,7-trihydroxy-2-phenylchromen-4-one
CID 162642124
3,6,7-trihydroxy-2,5-diphenylchromen-4-one
CID 143758219
8-hydroxy-7-phenylfuro[3,2-f]chromen-9-one
CID 4304691
carbonic acid;1,2-dihexylbenzene
CID 174444225
carbonic acid;1,2-dioctylbenzene
CID 174715227
3-hydroxy-2-phenylchromen-4-one;sulfuric acid
CID 118009267
carbonic acid;bis(2-nonylphenol)
CID 69221300

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-5-pentyl-2-phenylchromen-4-one?
The IUPAC name of 3-hydroxy-5-pentyl-2-phenylchromen-4-one (CID 67380018) is 3-hydroxy-5-pentyl-2-phenylchromen-4-one.
What is the SMILES notation for 3-hydroxy-5-pentyl-2-phenylchromen-4-one?
The canonical SMILES for 3-hydroxy-5-pentyl-2-phenylchromen-4-one is CCCCCc1cccc2oc(-c3ccccc3)c(O)c(=O)c12.
What is the InChIKey of 3-hydroxy-5-pentyl-2-phenylchromen-4-one?
The InChIKey is SGOWYSAZLMWBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O3/c1-2-3-5-9-14-12-8-13-16-17(14)18(21)19(22)20(23-16)15-10-6-4-7-11-15/h4,6-8,10-13,22H,2-3,5,9H2,1H3.
What are the key properties of 3-hydroxy-5-pentyl-2-phenylchromen-4-one?
3-hydroxy-5-pentyl-2-phenylchromen-4-one has a molecular weight of 308.38 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-5-pentyl-2-phenylchromen-4-one is sourced from PubChem (CID 67380018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).