3-(4-hydroxyphenyl)-7-(6-morpholin-4-ylhexoxy)chromen-4-one

C25H29NO5 — CID 56640470

IUPAC3-(4-hydroxyphenyl)-7-(6-morpholin-4-ylhexoxy)chromen-4-one
SMILESO=c1c(-c2ccc(O)cc2)coc2cc(OCCCCCCN3CCOCC3)ccc12
InChIInChI=1S/C25H29NO5/c27-20-7-5-19(6-8-20)23-18-31-24-17-21(9-10-22(24)25(23)28)30-14-4-2-1-3-11-26-12-15-29-16-13-26/h5-10,17-18,27H,1-4,11-16H2
InChIKeyKYCSTFGDTXQVOT-UHFFFAOYSA-N
MW423.51 g/mol
LogP4.44
Rot. Bonds9

About 3-(4-hydroxyphenyl)-7-(6-morpholin-4-ylhexoxy)chromen-4-one

3-(4-hydroxyphenyl)-7-(6-morpholin-4-ylhexoxy)chromen-4-one (PubChem CID 56640470) has the molecular formula C25H29NO5 and a molecular weight of 423.51 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)-7-(6-morpholin-4-ylhexoxy)chromen-4-one.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)-7-(6-morpholin-4-ylhexoxy)chromen-4-one
PubChem CID56640470
Molecular FormulaC25H29NO5
Molecular Weight423.51 g/mol
Exact Mass423.20
IUPAC Name3-(4-hydroxyphenyl)-7-(6-morpholin-4-ylhexoxy)chromen-4-one
SMILESO=c1c(-c2ccc(O)cc2)coc2cc(OCCCCCCN3CCOCC3)ccc12
InChIInChI=1S/C25H29NO5/c27-20-7-5-19(6-8-20)23-18-31-24-17-21(9-10-22(24)25(23)28)30-14-4-2-1-3-11-26-12-15-29-16-13-26/h5-10,17-18,27H,1-4,11-16H2
InChIKeyKYCSTFGDTXQVOT-UHFFFAOYSA-N
XLogP4.44
TPSA72.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

7-[5-(4-ethylpiperidin-1-yl)pentoxy]-3-(4-hydroxyphenyl)chromen-4-one
CID 56640468
3-[4-[4-(4-benzylpiperazin-1-yl)butoxy]phenyl]-7-hydroxychromen-4-one
CID 54759747
7-[4-(4-acetylpiperazin-1-yl)butoxy]-3-phenylchromen-4-one
CID 10971851
3-phenyl-7-(4-piperazin-1-ylbutoxy)chromen-4-one
CID 11090179
7-hex-5-enoxy-3-(4-hydroxyphenyl)chromen-4-one
CID 10925737
7-(4-piperazin-1-ylbutoxy)-3-(4-propan-2-ylphenyl)chromen-4-one
CID 102303977
2-(4-hydroxyphenyl)-7-(2-morpholin-4-ylethoxy)chromen-4-one
CID 162359881
6-(4-oxo-3-phenylchromen-7-yl)oxyhexanoic acid
CID 54129732
2-[4-[5-[[3-(4-chlorophenyl)-1-benzofuran-6-yl]oxy]pentyl]piperazin-1-yl]acetic acid
CID 69170887
7-(2-morpholin-4-yl-2-oxoethoxy)-3-[4-(trifluoromethoxy)phenyl]chromen-4-one
CID 121309102
3-(4-ethoxyphenyl)-7-hydroxychromen-4-one
CID 71406499
2-morpholin-4-ylethyl 3-[[3-[4-(methanesulfinamido)phenyl]-4-oxochromen-7-yl]oxymethyl]benzoate
CID 141240182

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)-7-(6-morpholin-4-ylhexoxy)chromen-4-one?
The IUPAC name of 3-(4-hydroxyphenyl)-7-(6-morpholin-4-ylhexoxy)chromen-4-one (CID 56640470) is 3-(4-hydroxyphenyl)-7-(6-morpholin-4-ylhexoxy)chromen-4-one.
What is the SMILES notation for 3-(4-hydroxyphenyl)-7-(6-morpholin-4-ylhexoxy)chromen-4-one?
The canonical SMILES for 3-(4-hydroxyphenyl)-7-(6-morpholin-4-ylhexoxy)chromen-4-one is O=c1c(-c2ccc(O)cc2)coc2cc(OCCCCCCN3CCOCC3)ccc12.
What is the InChIKey of 3-(4-hydroxyphenyl)-7-(6-morpholin-4-ylhexoxy)chromen-4-one?
The InChIKey is KYCSTFGDTXQVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO5/c27-20-7-5-19(6-8-20)23-18-31-24-17-21(9-10-22(24)25(23)28)30-14-4-2-1-3-11-26-12-15-29-16-13-26/h5-10,17-18,27H,1-4,11-16H2.
What are the key properties of 3-(4-hydroxyphenyl)-7-(6-morpholin-4-ylhexoxy)chromen-4-one?
3-(4-hydroxyphenyl)-7-(6-morpholin-4-ylhexoxy)chromen-4-one has a molecular weight of 423.51 g/mol, XLogP of 4.44, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenyl)-7-(6-morpholin-4-ylhexoxy)chromen-4-one is sourced from PubChem (CID 56640470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).