8-(3-aminopentan-3-yl)-7-hydroxy-2-methyl-3-phenylchromen-4-one

C21H23NO3 — CID 21159664

IUPAC8-(3-aminopentan-3-yl)-7-hydroxy-2-methyl-3-phenylchromen-4-one
SMILESCCC(N)(CC)c1c(O)ccc2c(=O)c(-c3ccccc3)c(C)oc12
InChIInChI=1S/C21H23NO3/c1-4-21(22,5-2)18-16(23)12-11-15-19(24)17(13(3)25-20(15)18)14-9-7-6-8-10-14/h6-12,23H,4-5,22H2,1-3H3
InChIKeyFLBHWEHTWXEPRM-UHFFFAOYSA-N
MW337.42 g/mol
LogP4.45
Rot. Bonds4

About 8-(3-aminopentan-3-yl)-7-hydroxy-2-methyl-3-phenylchromen-4-one

8-(3-aminopentan-3-yl)-7-hydroxy-2-methyl-3-phenylchromen-4-one (PubChem CID 21159664) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is 8-(3-aminopentan-3-yl)-7-hydroxy-2-methyl-3-phenylchromen-4-one.

Molecular Properties

Compound Name8-(3-aminopentan-3-yl)-7-hydroxy-2-methyl-3-phenylchromen-4-one
PubChem CID21159664
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC Name8-(3-aminopentan-3-yl)-7-hydroxy-2-methyl-3-phenylchromen-4-one
SMILESCCC(N)(CC)c1c(O)ccc2c(=O)c(-c3ccccc3)c(C)oc12
InChIInChI=1S/C21H23NO3/c1-4-21(22,5-2)18-16(23)12-11-15-19(24)17(13(3)25-20(15)18)14-9-7-6-8-10-14/h6-12,23H,4-5,22H2,1-3H3
InChIKeyFLBHWEHTWXEPRM-UHFFFAOYSA-N
XLogP4.45
TPSA76.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

7-hydroxy-2-methyl-3-phenyl-8-[[propyl(2,2,2-trifluoroethyl)amino]methyl]chromen-4-one
CID 55861071
7-hydroxy-2-methyl-3-phenyl-8-(piperidin-1-ylmethyl)chromen-4-one
CID 5361809
8-bromo-7-hydroxy-2-methyl-3-phenylchromen-4-one;7-hydroxy-2-methyl-3-phenylchromen-4-one
CID 159926882
8-(3-aminopentan-3-yl)-7-methoxy-3-methyl-2-phenylchromen-4-one;hydrochloride
CID 23622394
2,7-dimethyl-3-phenyl-1-benzofuran-6-ol
CID 58753788
7-hydroxy-2-methyl-8-[[(3S)-3-methylpiperidin-1-yl]methyl]-3-phenylchromen-4-one
CID 7529905
8-[(dimethylamino)methyl]-6-ethyl-7-hydroxy-2-methyl-3-phenylchromen-4-one
CID 3356015
9-cyclopropyl-2-methyl-3-phenyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one
CID 25282422
8-(diethylaminomethyl)-7-hydroxy-3-phenyl-2-(trifluoromethyl)chromen-4-one
CID 5450023
3-(2-chlorophenyl)-7-hydroxy-2,8-dimethylchromen-4-one
CID 5350853
8-[[4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-1-yl]methyl]-7-hydroxy-2-methyl-3-phenylchromen-4-one
CID 30013804
3,7-dihydroxy-8-methyl-2-phenylchromen-4-one
CID 178063464

Frequently Asked Questions

What is the IUPAC name of 8-(3-aminopentan-3-yl)-7-hydroxy-2-methyl-3-phenylchromen-4-one?
The IUPAC name of 8-(3-aminopentan-3-yl)-7-hydroxy-2-methyl-3-phenylchromen-4-one (CID 21159664) is 8-(3-aminopentan-3-yl)-7-hydroxy-2-methyl-3-phenylchromen-4-one.
What is the SMILES notation for 8-(3-aminopentan-3-yl)-7-hydroxy-2-methyl-3-phenylchromen-4-one?
The canonical SMILES for 8-(3-aminopentan-3-yl)-7-hydroxy-2-methyl-3-phenylchromen-4-one is CCC(N)(CC)c1c(O)ccc2c(=O)c(-c3ccccc3)c(C)oc12.
What is the InChIKey of 8-(3-aminopentan-3-yl)-7-hydroxy-2-methyl-3-phenylchromen-4-one?
The InChIKey is FLBHWEHTWXEPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO3/c1-4-21(22,5-2)18-16(23)12-11-15-19(24)17(13(3)25-20(15)18)14-9-7-6-8-10-14/h6-12,23H,4-5,22H2,1-3H3.
What are the key properties of 8-(3-aminopentan-3-yl)-7-hydroxy-2-methyl-3-phenylchromen-4-one?
8-(3-aminopentan-3-yl)-7-hydroxy-2-methyl-3-phenylchromen-4-one has a molecular weight of 337.42 g/mol, XLogP of 4.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-aminopentan-3-yl)-7-hydroxy-2-methyl-3-phenylchromen-4-one is sourced from PubChem (CID 21159664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).