7-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]-5-hydroxy-2,3-diphenylchromen-4-one

C35H32O7 — CID 10370669

IUPAC7-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]-5-hydroxy-2,3-diphenylchromen-4-one
SMILESCCCc1c(OCCCOc2cc(O)c3c(=O)c(-c4ccccc4)c(-c4ccccc4)oc3c2)ccc(C(C)=O)c1O
InChIInChI=1S/C35H32O7/c1-3-11-27-29(17-16-26(22(2)36)33(27)38)41-19-10-18-40-25-20-28(37)32-30(21-25)42-35(24-14-8-5-9-15-24)31(34(32)39)23-12-6-4-7-13-23/h4-9,12-17,20-21,37-38H,3,10-11,18-19H2,1-2H3
InChIKeyPMOSSMRPVORIBR-UHFFFAOYSA-N
MW564.63 g/mol
LogP7.54
Rot. Bonds11

About 7-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]-5-hydroxy-2,3-diphenylchromen-4-one

7-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]-5-hydroxy-2,3-diphenylchromen-4-one (PubChem CID 10370669) has the molecular formula C35H32O7 and a molecular weight of 564.63 g/mol. Its IUPAC name is 7-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]-5-hydroxy-2,3-diphenylchromen-4-one.

Molecular Properties

Compound Name7-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]-5-hydroxy-2,3-diphenylchromen-4-one
PubChem CID10370669
Molecular FormulaC35H32O7
Molecular Weight564.63 g/mol
Exact Mass564.21
IUPAC Name7-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]-5-hydroxy-2,3-diphenylchromen-4-one
SMILESCCCc1c(OCCCOc2cc(O)c3c(=O)c(-c4ccccc4)c(-c4ccccc4)oc3c2)ccc(C(C)=O)c1O
InChIInChI=1S/C35H32O7/c1-3-11-27-29(17-16-26(22(2)36)33(27)38)41-19-10-18-40-25-20-28(37)32-30(21-25)42-35(24-14-8-5-9-15-24)31(34(32)39)23-12-6-4-7-13-23/h4-9,12-17,20-21,37-38H,3,10-11,18-19H2,1-2H3
InChIKeyPMOSSMRPVORIBR-UHFFFAOYSA-N
XLogP7.54
TPSA106.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.63
LogP ≤ 57.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

7-[3-(5-hydroxy-4-oxo-2,3-diphenylchromen-7-yl)oxypropoxy]-4-oxo-8-propylchromene-2-carboxylic acid
CID 10348886
7-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]-2-methyl-3-phenylchromen-4-one
CID 10413131
4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]-2-hydroxybenzoic acid;bicyclo[2.2.0]hexa-1,3,5-triene
CID 70501692
2-[4-acetyl-3-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy]acetic acid
CID 13389154
1-[2-hydroxy-4-[3-(2-nitrophenoxy)propoxy]-3-propylphenyl]ethanone
CID 19851997
1-[4-[3-(4-acetyl-3-amino-5-propylphenoxy)propoxy]-2-hydroxy-3-propylphenyl]ethanone
CID 70448026
(E)-3-[2-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenyl]prop-2-enoic acid
CID 13019320
1-[2-hydroxy-4-[3-(3-methyl-4-nitrophenoxy)propoxy]-3-propylphenyl]ethanone
CID 19852001
sodium 4-[7-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]-4-oxo-8-propylchromen-2-yl]benzoate
CID 23702996
4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]-2-hydroxy-N-(2H-tetrazol-5-yl)benzamide
CID 13019363
methyl 2-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenyl]acetate
CID 10620999
(E)-3-[3-[2-(4-acetyl-3-hydroxy-2-propylphenoxy)ethoxy]phenyl]prop-2-enoic acid
CID 13019317

Frequently Asked Questions

What is the IUPAC name of 7-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]-5-hydroxy-2,3-diphenylchromen-4-one?
The IUPAC name of 7-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]-5-hydroxy-2,3-diphenylchromen-4-one (CID 10370669) is 7-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]-5-hydroxy-2,3-diphenylchromen-4-one.
What is the SMILES notation for 7-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]-5-hydroxy-2,3-diphenylchromen-4-one?
The canonical SMILES for 7-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]-5-hydroxy-2,3-diphenylchromen-4-one is CCCc1c(OCCCOc2cc(O)c3c(=O)c(-c4ccccc4)c(-c4ccccc4)oc3c2)ccc(C(C)=O)c1O.
What is the InChIKey of 7-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]-5-hydroxy-2,3-diphenylchromen-4-one?
The InChIKey is PMOSSMRPVORIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H32O7/c1-3-11-27-29(17-16-26(22(2)36)33(27)38)41-19-10-18-40-25-20-28(37)32-30(21-25)42-35(24-14-8-5-9-15-24)31(34(32)39)23-12-6-4-7-13-23/h4-9,12-17,20-21,37-38H,3,10-11,18-19H2,1-2H3.
What are the key properties of 7-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]-5-hydroxy-2,3-diphenylchromen-4-one?
7-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]-5-hydroxy-2,3-diphenylchromen-4-one has a molecular weight of 564.63 g/mol, XLogP of 7.54, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]-5-hydroxy-2,3-diphenylchromen-4-one is sourced from PubChem (CID 10370669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).