7-hydroxy-4-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]-3-phenylchromen-2-one

C28H27NO5 — CID 10182867

IUPAC7-hydroxy-4-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]-3-phenylchromen-2-one
SMILESO=c1oc2cc(O)ccc2c(Cc2ccc(OCCN3CCOCC3)cc2)c1-c1ccccc1
InChIInChI=1S/C28H27NO5/c30-22-8-11-24-25(27(21-4-2-1-3-5-21)28(31)34-26(24)19-22)18-20-6-9-23(10-7-20)33-17-14-29-12-15-32-16-13-29/h1-11,19,30H,12-18H2
InChIKeySXKPNCHRRCINGH-UHFFFAOYSA-N
MW457.53 g/mol
LogP4.47
Rot. Bonds7

About 7-hydroxy-4-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]-3-phenylchromen-2-one

7-hydroxy-4-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]-3-phenylchromen-2-one (PubChem CID 10182867) has the molecular formula C28H27NO5 and a molecular weight of 457.53 g/mol. Its IUPAC name is 7-hydroxy-4-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]-3-phenylchromen-2-one.

Molecular Properties

Compound Name7-hydroxy-4-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]-3-phenylchromen-2-one
PubChem CID10182867
Molecular FormulaC28H27NO5
Molecular Weight457.53 g/mol
Exact Mass457.19
IUPAC Name7-hydroxy-4-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]-3-phenylchromen-2-one
SMILESO=c1oc2cc(O)ccc2c(Cc2ccc(OCCN3CCOCC3)cc2)c1-c1ccccc1
InChIInChI=1S/C28H27NO5/c30-22-8-11-24-25(27(21-4-2-1-3-5-21)28(31)34-26(24)19-22)18-20-6-9-23(10-7-20)33-17-14-29-12-15-32-16-13-29/h1-11,19,30H,12-18H2
InChIKeySXKPNCHRRCINGH-UHFFFAOYSA-N
XLogP4.47
TPSA72.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(4-chlorophenyl)-7-hydroxy-4-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]chromen-2-one;hydrochloride
CID 22994356
7-methoxy-3-phenyl-4-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]chromen-2-one
CID 15547179
3-(2-chlorophenyl)-7-hydroxy-4-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]chromen-2-one;3-(3-chlorophenyl)-7-hydroxy-4-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]chromen-2-one;7-hydroxy-3-(4-methylphenyl)-4-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]chromen-2-one
CID 91504785
3-(3-chloro-4-methylphenyl)-7-hydroxy-4-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]chromen-2-one
CID 18721837
4-(4-hydroxyphenyl)-3-phenyl-7-(2-piperidin-1-ylethoxy)chromen-2-one
CID 71818110
7-(2-morpholin-4-ylethoxy)-2-phenylchromen-4-one
CID 162359717
4-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-7-hydroxy-3-[4-methyl-2-(trifluoromethyl)phenyl]chromen-2-one
CID 58882023
3-(4-chlorophenyl)-7-hydroxy-4-[4-(2-pyrrolidin-1-ylethoxy)phenyl]chromen-2-one
CID 10204938
2-(4-hydroxyphenyl)-7-(2-morpholin-4-ylethoxy)chromen-4-one
CID 162359881
4-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]-7-hydroxy-3-(4-methylphenyl)chromen-2-one;7-methylperoxysulfanyloxy-3-(4-methylphenyl)-4-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]chromen-2-one
CID 90981102
3-phenyl-7-(2-piperidin-1-ylethoxy)-4-[4-(2-piperidin-1-ylethoxy)phenyl]chromen-2-one
CID 71817959
(6-hydroxy-2-phenyl-1-benzothiophen-3-yl)-[4-(2-morpholin-4-ylethoxy)phenyl]methanone
CID 18410284

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-4-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]-3-phenylchromen-2-one?
The IUPAC name of 7-hydroxy-4-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]-3-phenylchromen-2-one (CID 10182867) is 7-hydroxy-4-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]-3-phenylchromen-2-one.
What is the SMILES notation for 7-hydroxy-4-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]-3-phenylchromen-2-one?
The canonical SMILES for 7-hydroxy-4-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]-3-phenylchromen-2-one is O=c1oc2cc(O)ccc2c(Cc2ccc(OCCN3CCOCC3)cc2)c1-c1ccccc1.
What is the InChIKey of 7-hydroxy-4-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]-3-phenylchromen-2-one?
The InChIKey is SXKPNCHRRCINGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27NO5/c30-22-8-11-24-25(27(21-4-2-1-3-5-21)28(31)34-26(24)19-22)18-20-6-9-23(10-7-20)33-17-14-29-12-15-32-16-13-29/h1-11,19,30H,12-18H2.
What are the key properties of 7-hydroxy-4-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]-3-phenylchromen-2-one?
7-hydroxy-4-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]-3-phenylchromen-2-one has a molecular weight of 457.53 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-4-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]-3-phenylchromen-2-one is sourced from PubChem (CID 10182867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).