5-hydroxy-2-[4-methoxy-3-(1-phenyltetrazol-5-yl)oxyphenyl]-7-phenylmethoxychromen-4-one

C30H22N4O6 — CID 11180161

IUPAC5-hydroxy-2-[4-methoxy-3-(1-phenyltetrazol-5-yl)oxyphenyl]-7-phenylmethoxychromen-4-one
SMILESCOc1ccc(-c2cc(=O)c3c(O)cc(OCc4ccccc4)cc3o2)cc1Oc1nnnn1-c1ccccc1
InChIInChI=1S/C30H22N4O6/c1-37-25-13-12-20(14-27(25)40-30-31-32-33-34(30)21-10-6-3-7-11-21)26-17-24(36)29-23(35)15-22(16-28(29)39-26)38-18-19-8-4-2-5-9-19/h2-17,35H,18H2,1H3
InChIKeyDFUGHEPETJMFPT-UHFFFAOYSA-N
MW534.53 g/mol
LogP5.52
Rot. Bonds8

About 5-hydroxy-2-[4-methoxy-3-(1-phenyltetrazol-5-yl)oxyphenyl]-7-phenylmethoxychromen-4-one

5-hydroxy-2-[4-methoxy-3-(1-phenyltetrazol-5-yl)oxyphenyl]-7-phenylmethoxychromen-4-one (PubChem CID 11180161) has the molecular formula C30H22N4O6 and a molecular weight of 534.53 g/mol. Its IUPAC name is 5-hydroxy-2-[4-methoxy-3-(1-phenyltetrazol-5-yl)oxyphenyl]-7-phenylmethoxychromen-4-one.

Molecular Properties

Compound Name5-hydroxy-2-[4-methoxy-3-(1-phenyltetrazol-5-yl)oxyphenyl]-7-phenylmethoxychromen-4-one
PubChem CID11180161
Molecular FormulaC30H22N4O6
Molecular Weight534.53 g/mol
Exact Mass534.15
IUPAC Name5-hydroxy-2-[4-methoxy-3-(1-phenyltetrazol-5-yl)oxyphenyl]-7-phenylmethoxychromen-4-one
SMILESCOc1ccc(-c2cc(=O)c3c(O)cc(OCc4ccccc4)cc3o2)cc1Oc1nnnn1-c1ccccc1
InChIInChI=1S/C30H22N4O6/c1-37-25-13-12-20(14-27(25)40-30-31-32-33-34(30)21-10-6-3-7-11-21)26-17-24(36)29-23(35)15-22(16-28(29)39-26)38-18-19-8-4-2-5-9-19/h2-17,35H,18H2,1H3
InChIKeyDFUGHEPETJMFPT-UHFFFAOYSA-N
XLogP5.52
TPSA121.73 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.53
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one;5-methyl-2-(4-methyl-3-phenylmethoxyphenyl)-7-phenylmethoxychromen-4-one
CID 86755123
2-(3-hydroxy-4-methoxyphenyl)-7-phenylmethoxychromen-4-one
CID 139217483
7-[(4-bromophenyl)methoxy]-5-hydroxy-2-phenylchromen-4-one
CID 6029612
tert-butyl 2-[2-(3,4-dimethoxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxyacetate
CID 69027346
2-(3-chloro-4-methoxyphenyl)-5-hydroxy-7-(methoxymethoxy)chromen-4-one
CID 59152476
5,7-bis(phenylmethoxy)-2-(4-phenylmethoxyphenyl)chromen-4-one
CID 11180247
2-(3-amino-4-methoxyphenyl)-5-hydroxy-7-methoxychromen-4-one
CID 44583449
2-[5-(carboxymethoxy)-2-[3-(carboxymethoxy)-4-methoxyphenyl]-4-oxochromen-7-yl]oxyacetic acid
CID 67582589
7-(2,3-dihydroxypropoxy)-5-hydroxy-2-(4-methoxy-3-propoxyphenyl)chromen-4-one
CID 19049226
1-phenyl-5-phenylmethoxytetrazole
CID 5082830
2-(3,4-dimethoxyphenyl)-7-(2-hydroxyethoxy)-5-methoxychromen-4-one;2-(3,4-dimethoxyphenyl)-7-hydroxy-5-methoxychromen-4-one
CID 157085920
5,6-dihydroxy-2-phenyl-7-phenylmethoxychromen-4-one
CID 15108702

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-[4-methoxy-3-(1-phenyltetrazol-5-yl)oxyphenyl]-7-phenylmethoxychromen-4-one?
The IUPAC name of 5-hydroxy-2-[4-methoxy-3-(1-phenyltetrazol-5-yl)oxyphenyl]-7-phenylmethoxychromen-4-one (CID 11180161) is 5-hydroxy-2-[4-methoxy-3-(1-phenyltetrazol-5-yl)oxyphenyl]-7-phenylmethoxychromen-4-one.
What is the SMILES notation for 5-hydroxy-2-[4-methoxy-3-(1-phenyltetrazol-5-yl)oxyphenyl]-7-phenylmethoxychromen-4-one?
The canonical SMILES for 5-hydroxy-2-[4-methoxy-3-(1-phenyltetrazol-5-yl)oxyphenyl]-7-phenylmethoxychromen-4-one is COc1ccc(-c2cc(=O)c3c(O)cc(OCc4ccccc4)cc3o2)cc1Oc1nnnn1-c1ccccc1.
What is the InChIKey of 5-hydroxy-2-[4-methoxy-3-(1-phenyltetrazol-5-yl)oxyphenyl]-7-phenylmethoxychromen-4-one?
The InChIKey is DFUGHEPETJMFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22N4O6/c1-37-25-13-12-20(14-27(25)40-30-31-32-33-34(30)21-10-6-3-7-11-21)26-17-24(36)29-23(35)15-22(16-28(29)39-26)38-18-19-8-4-2-5-9-19/h2-17,35H,18H2,1H3.
What are the key properties of 5-hydroxy-2-[4-methoxy-3-(1-phenyltetrazol-5-yl)oxyphenyl]-7-phenylmethoxychromen-4-one?
5-hydroxy-2-[4-methoxy-3-(1-phenyltetrazol-5-yl)oxyphenyl]-7-phenylmethoxychromen-4-one has a molecular weight of 534.53 g/mol, XLogP of 5.52, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-[4-methoxy-3-(1-phenyltetrazol-5-yl)oxyphenyl]-7-phenylmethoxychromen-4-one is sourced from PubChem (CID 11180161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).