7-(3-hydroxypentyl)-3-phenylchromen-2-one

C20H20O3 — CID 146412094

IUPAC7-(3-hydroxypentyl)-3-phenylchromen-2-one
SMILESCCC(O)CCc1ccc2cc(-c3ccccc3)c(=O)oc2c1
InChIInChI=1S/C20H20O3/c1-2-17(21)11-9-14-8-10-16-13-18(15-6-4-3-5-7-15)20(22)23-19(16)12-14/h3-8,10,12-13,17,21H,2,9,11H2,1H3
InChIKeyBHNKGWICWMPHGN-UHFFFAOYSA-N
MW308.38 g/mol
LogP4.16
Rot. Bonds5

About 7-(3-hydroxypentyl)-3-phenylchromen-2-one

7-(3-hydroxypentyl)-3-phenylchromen-2-one (PubChem CID 146412094) has the molecular formula C20H20O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is 7-(3-hydroxypentyl)-3-phenylchromen-2-one.

Molecular Properties

Compound Name7-(3-hydroxypentyl)-3-phenylchromen-2-one
PubChem CID146412094
Molecular FormulaC20H20O3
Molecular Weight308.38 g/mol
Exact Mass308.14
IUPAC Name7-(3-hydroxypentyl)-3-phenylchromen-2-one
SMILESCCC(O)CCc1ccc2cc(-c3ccccc3)c(=O)oc2c1
InChIInChI=1S/C20H20O3/c1-2-17(21)11-9-14-8-10-16-13-18(15-6-4-3-5-7-15)20(22)23-19(16)12-14/h3-8,10,12-13,17,21H,2,9,11H2,1H3
InChIKeyBHNKGWICWMPHGN-UHFFFAOYSA-N
XLogP4.16
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 ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-[4-hydroxy-7-(2-oxo-3-phenylchromen-7-yl)heptyl]-3-phenylchromen-2-one
CID 153454846
7-[3-hydroxy-5-[2-oxo-3-(4-pentylphenyl)chromen-7-yl]pentyl]-3-(4-pentylphenyl)chromen-2-one
CID 153454826
3-phenylchromen-2-one;hydrochloride
CID 141206894
7-(3-hydroxypropyl)-3-(4-methoxyphenyl)chromen-2-one
CID 58402410
7-(dimethylamino)-3-phenylchromen-2-one
CID 10611726
7-[(4-chlorophenyl)methoxy]-3-phenylchromen-2-one
CID 2062838
6-[2-hydroxy-3-(2-oxo-3-phenylchromen-6-yl)oxypropoxy]-3-phenylchromen-2-one
CID 146412107
(2-phenyl-1-benzofuran-6-yl)methanol
CID 19840311
7-(diethylamino)-3-[4-(N-naphthalen-1-ylanilino)phenyl]chromen-2-one
CID 58612991
7-[(3,4-dichlorophenyl)methoxy]-3-phenylchromen-2-one
CID 2062848
7-(furan-2-yl)-3-phenylchromen-2-one
CID 59685532
ethane;7-ethyl-3-(4-ethylphenyl)chromen-2-one;2-ethyl-5-(4-ethylphenyl)pyrimidine
CID 161002487

Frequently Asked Questions

What is the IUPAC name of 7-(3-hydroxypentyl)-3-phenylchromen-2-one?
The IUPAC name of 7-(3-hydroxypentyl)-3-phenylchromen-2-one (CID 146412094) is 7-(3-hydroxypentyl)-3-phenylchromen-2-one.
What is the SMILES notation for 7-(3-hydroxypentyl)-3-phenylchromen-2-one?
The canonical SMILES for 7-(3-hydroxypentyl)-3-phenylchromen-2-one is CCC(O)CCc1ccc2cc(-c3ccccc3)c(=O)oc2c1.
What is the InChIKey of 7-(3-hydroxypentyl)-3-phenylchromen-2-one?
The InChIKey is BHNKGWICWMPHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O3/c1-2-17(21)11-9-14-8-10-16-13-18(15-6-4-3-5-7-15)20(22)23-19(16)12-14/h3-8,10,12-13,17,21H,2,9,11H2,1H3.
What are the key properties of 7-(3-hydroxypentyl)-3-phenylchromen-2-one?
7-(3-hydroxypentyl)-3-phenylchromen-2-one has a molecular weight of 308.38 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-hydroxypentyl)-3-phenylchromen-2-one is sourced from PubChem (CID 146412094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).