6-[2-[2-(2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxy-3,6-dimethylphenyl]-4-methoxy-3,6-dimethylphenoxy]-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepine

C46H44O12P2 — CID 59931142

IUPAC6-[2-[2-(2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxy-3,6-dimethylphenyl]-4-methoxy-3,6-dimethylphenoxy]-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepine
SMILESCOc1ccc2op(Oc3c(C)cc(OC)c(C)c3-c3c(C)c(OC)cc(C)c3Op3oc4ccc(OC)cc4c4cc(OC)ccc4o3)oc3ccc(OC)cc3c2c1
InChIInChI=1S/C46H44O12P2/c1-25-19-41(51-9)27(3)43(45(25)57-59-53-37-15-11-29(47-5)21-33(37)34-22-30(48-6)12-16-38(34)54-59)44-28(4)42(52-10)20-26(2)46(44)58-60-55-39-17-13-31(49-7)23-35(39)36-24-32(50-8)14-18-40(36)56-60/h11-24H,1-10H3
InChIKeyQVQJDEWIEWPXQY-UHFFFAOYSA-N
MW850.79 g/mol
LogP13.53
Rot. Bonds11

About 6-[2-[2-(2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxy-3,6-dimethylphenyl]-4-methoxy-3,6-dimethylphenoxy]-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepine

6-[2-[2-(2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxy-3,6-dimethylphenyl]-4-methoxy-3,6-dimethylphenoxy]-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepine (PubChem CID 59931142) has the molecular formula C46H44O12P2 and a molecular weight of 850.79 g/mol. Its IUPAC name is 6-[2-[2-(2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxy-3,6-dimethylphenyl]-4-methoxy-3,6-dimethylphenoxy]-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepine.

Molecular Properties

Compound Name6-[2-[2-(2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxy-3,6-dimethylphenyl]-4-methoxy-3,6-dimethylphenoxy]-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepine
PubChem CID59931142
Molecular FormulaC46H44O12P2
Molecular Weight850.79 g/mol
Exact Mass850.23
IUPAC Name6-[2-[2-(2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxy-3,6-dimethylphenyl]-4-methoxy-3,6-dimethylphenoxy]-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepine
SMILESCOc1ccc2op(Oc3c(C)cc(OC)c(C)c3-c3c(C)c(OC)cc(C)c3Op3oc4ccc(OC)cc4c4cc(OC)ccc4o3)oc3ccc(OC)cc3c2c1
InChIInChI=1S/C46H44O12P2/c1-25-19-41(51-9)27(3)43(45(25)57-59-53-37-15-11-29(47-5)21-33(37)34-22-30(48-6)12-16-38(34)54-59)44-28(4)42(52-10)20-26(2)46(44)58-60-55-39-17-13-31(49-7)23-35(39)36-24-32(50-8)14-18-40(36)56-60/h11-24H,1-10H3
InChIKeyQVQJDEWIEWPXQY-UHFFFAOYSA-N
XLogP13.53
TPSA126.40 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500850.79
LogP ≤ 513.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 6-[2-[2-(2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxy-3,6-dimethylphenyl]-4-methoxy-3,6-dimethylphenoxy]-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepine with MolForge

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Related Compounds

13-[2-[2-(2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-3,5,6-trimethylphenyl]-3,4,6-trimethylphenoxy]-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
CID 59931133
6-[2-[2-(2,10-difluorobenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxy-3,6-dimethylphenyl]-4-methoxy-3,6-dimethylphenoxy]-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine
CID 59931134
2,10-dichloro-6-[2-[2-(2,10-dichlorobenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-3,5,6-trimethylphenyl]-3,4,6-trimethylphenoxy]benzo[d][1,3,2]benzodioxaphosphepine
CID 59931119
7-methoxy-1-(7-methoxy-2-methylnaphthalen-1-yl)-2-methylnaphthalene
CID 20715432
6-[2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-6-bromo-3,5-dimethylphenyl)-3-bromo-4,6-dimethylphenoxy]benzo[d][1,3,2]benzodioxaphosphepine
CID 59931122
6-(2-tert-butyl-4-methoxyphenoxy)benzo[d][1,3,2]benzodioxaphosphepine
CID 11069264
ethene;4-methoxy-1,2-dimethylbenzene
CID 145003805
ethane;4-methoxy-1,2-dimethylbenzene;5-methoxy-1,2,3-trimethylbenzene
CID 171649028
2-methoxy-6-(3-methoxy-4-methylphenyl)naphthalene
CID 57012474
2-methoxy-7-methyldibenzofuran
CID 122387372
formaldehyde;4-methoxy-1,2-dimethylbenzene
CID 157089381
13-hydroxy-5,21-dimethoxy-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),4,6,9,16,18(23),19,21-decaene
CID 90965651

Frequently Asked Questions

What is the IUPAC name of 6-[2-[2-(2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxy-3,6-dimethylphenyl]-4-methoxy-3,6-dimethylphenoxy]-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepine?
The IUPAC name of 6-[2-[2-(2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxy-3,6-dimethylphenyl]-4-methoxy-3,6-dimethylphenoxy]-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepine (CID 59931142) is 6-[2-[2-(2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxy-3,6-dimethylphenyl]-4-methoxy-3,6-dimethylphenoxy]-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepine.
What is the SMILES notation for 6-[2-[2-(2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxy-3,6-dimethylphenyl]-4-methoxy-3,6-dimethylphenoxy]-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepine?
The canonical SMILES for 6-[2-[2-(2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxy-3,6-dimethylphenyl]-4-methoxy-3,6-dimethylphenoxy]-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepine is COc1ccc2op(Oc3c(C)cc(OC)c(C)c3-c3c(C)c(OC)cc(C)c3Op3oc4ccc(OC)cc4c4cc(OC)ccc4o3)oc3ccc(OC)cc3c2c1.
What is the InChIKey of 6-[2-[2-(2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxy-3,6-dimethylphenyl]-4-methoxy-3,6-dimethylphenoxy]-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepine?
The InChIKey is QVQJDEWIEWPXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H44O12P2/c1-25-19-41(51-9)27(3)43(45(25)57-59-53-37-15-11-29(47-5)21-33(37)34-22-30(48-6)12-16-38(34)54-59)44-28(4)42(52-10)20-26(2)46(44)58-60-55-39-17-13-31(49-7)23-35(39)36-24-32(50-8)14-18-40(36)56-60/h11-24H,1-10H3.
What are the key properties of 6-[2-[2-(2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxy-3,6-dimethylphenyl]-4-methoxy-3,6-dimethylphenoxy]-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepine?
6-[2-[2-(2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxy-3,6-dimethylphenyl]-4-methoxy-3,6-dimethylphenoxy]-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepine has a molecular weight of 850.79 g/mol, XLogP of 13.53, 11 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[2-(2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxy-3,6-dimethylphenyl]-4-methoxy-3,6-dimethylphenoxy]-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepine is sourced from PubChem (CID 59931142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).