7-hydroxy-3-naphthalen-2-yl-2-propylchromen-4-one

C22H18O3 — CID 86168453

IUPAC7-hydroxy-3-naphthalen-2-yl-2-propylchromen-4-one
SMILESCCCc1oc2cc(O)ccc2c(=O)c1-c1ccc2ccccc2c1
InChIInChI=1S/C22H18O3/c1-2-5-19-21(16-9-8-14-6-3-4-7-15(14)12-16)22(24)18-11-10-17(23)13-20(18)25-19/h3-4,6-13,23H,2,5H2,1H3
InChIKeyCRRYMVGNHYERLO-UHFFFAOYSA-N
MW330.38 g/mol
LogP5.27
Rot. Bonds3

About 7-hydroxy-3-naphthalen-2-yl-2-propylchromen-4-one

7-hydroxy-3-naphthalen-2-yl-2-propylchromen-4-one (PubChem CID 86168453) has the molecular formula C22H18O3 and a molecular weight of 330.38 g/mol. Its IUPAC name is 7-hydroxy-3-naphthalen-2-yl-2-propylchromen-4-one.

Molecular Properties

Compound Name7-hydroxy-3-naphthalen-2-yl-2-propylchromen-4-one
PubChem CID86168453
Molecular FormulaC22H18O3
Molecular Weight330.38 g/mol
Exact Mass330.13
IUPAC Name7-hydroxy-3-naphthalen-2-yl-2-propylchromen-4-one
SMILESCCCc1oc2cc(O)ccc2c(=O)c1-c1ccc2ccccc2c1
InChIInChI=1S/C22H18O3/c1-2-5-19-21(16-9-8-14-6-3-4-7-15(14)12-16)22(24)18-11-10-17(23)13-20(18)25-19/h3-4,6-13,23H,2,5H2,1H3
InChIKeyCRRYMVGNHYERLO-UHFFFAOYSA-N
XLogP5.27
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.38
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(7-methyl-4-oxo-2-propylchromen-3-yl)phenyl] acetate
CID 58336692
N-butyl-11-[7-hydroxy-3-(4-hydroxyphenyl)-4-oxochromen-2-yl]-N-methylundecanamide
CID 59780422
3-(1,3-benzodioxol-5-yl)-6-ethyl-7-hydroxy-2-propylchromen-4-one
CID 5428922
6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-ol
CID 58876156
ethyl 7-hydroxy-3-(4-hydroxyphenyl)-4-oxochromene-2-carboxylate
CID 15486887
3-(4-chlorophenyl)-7-hydroxy-2-pentan-3-ylchromen-4-one
CID 11660182
7-hydroxy-2-[3-(4-hydroxyphenyl)propyl]-3-[(4-phenylphenyl)methyl]chromen-4-one
CID 44572773
3-benzyl-7-hydroxy-2-methylchromen-4-one
CID 86159483
3-hydroxy-2-naphthalen-2-ylchromen-4-one
CID 10085495
2-chloro-3-(4-chlorophenyl)-7-hydroxychromen-4-one
CID 175439697
3-(3,5-dimethylphenoxy)-2-ethyl-7-hydroxychromen-4-one
CID 5398995
7-hydroxy-2-methyl-3-(4-phenylphenoxy)chromen-4-one
CID 5408165

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-3-naphthalen-2-yl-2-propylchromen-4-one?
The IUPAC name of 7-hydroxy-3-naphthalen-2-yl-2-propylchromen-4-one (CID 86168453) is 7-hydroxy-3-naphthalen-2-yl-2-propylchromen-4-one.
What is the SMILES notation for 7-hydroxy-3-naphthalen-2-yl-2-propylchromen-4-one?
The canonical SMILES for 7-hydroxy-3-naphthalen-2-yl-2-propylchromen-4-one is CCCc1oc2cc(O)ccc2c(=O)c1-c1ccc2ccccc2c1.
What is the InChIKey of 7-hydroxy-3-naphthalen-2-yl-2-propylchromen-4-one?
The InChIKey is CRRYMVGNHYERLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O3/c1-2-5-19-21(16-9-8-14-6-3-4-7-15(14)12-16)22(24)18-11-10-17(23)13-20(18)25-19/h3-4,6-13,23H,2,5H2,1H3.
What are the key properties of 7-hydroxy-3-naphthalen-2-yl-2-propylchromen-4-one?
7-hydroxy-3-naphthalen-2-yl-2-propylchromen-4-one has a molecular weight of 330.38 g/mol, XLogP of 5.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-3-naphthalen-2-yl-2-propylchromen-4-one is sourced from PubChem (CID 86168453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).