3-(4,5-difluoro-2-methoxyphenyl)-1-[3-(4,5-difluoro-2-methoxyphenyl)-2-hydroxynaphthalen-1-yl]naphthalen-2-ol

C34H22F4O4 — CID 15442820

IUPAC3-(4,5-difluoro-2-methoxyphenyl)-1-[3-(4,5-difluoro-2-methoxyphenyl)-2-hydroxynaphthalen-1-yl]naphthalen-2-ol
SMILESCOc1cc(F)c(F)cc1-c1cc2ccccc2c(-c2c(O)c(-c3cc(F)c(F)cc3OC)cc3ccccc23)c1O
InChIInChI=1S/C34H22F4O4/c1-41-29-15-27(37)25(35)13-21(29)23-11-17-7-3-5-9-19(17)31(33(23)39)32-20-10-6-4-8-18(20)12-24(34(32)40)22-14-26(36)28(38)16-30(22)42-2/h3-16,39-40H,1-2H3
InChIKeyDEVPVXWHEPMFQD-UHFFFAOYSA-N
MW570.54 g/mol
LogP8.98
Rot. Bonds5

About 3-(4,5-difluoro-2-methoxyphenyl)-1-[3-(4,5-difluoro-2-methoxyphenyl)-2-hydroxynaphthalen-1-yl]naphthalen-2-ol

3-(4,5-difluoro-2-methoxyphenyl)-1-[3-(4,5-difluoro-2-methoxyphenyl)-2-hydroxynaphthalen-1-yl]naphthalen-2-ol (PubChem CID 15442820) has the molecular formula C34H22F4O4 and a molecular weight of 570.54 g/mol. Its IUPAC name is 3-(4,5-difluoro-2-methoxyphenyl)-1-[3-(4,5-difluoro-2-methoxyphenyl)-2-hydroxynaphthalen-1-yl]naphthalen-2-ol.

Molecular Properties

Compound Name3-(4,5-difluoro-2-methoxyphenyl)-1-[3-(4,5-difluoro-2-methoxyphenyl)-2-hydroxynaphthalen-1-yl]naphthalen-2-ol
PubChem CID15442820
Molecular FormulaC34H22F4O4
Molecular Weight570.54 g/mol
Exact Mass570.15
IUPAC Name3-(4,5-difluoro-2-methoxyphenyl)-1-[3-(4,5-difluoro-2-methoxyphenyl)-2-hydroxynaphthalen-1-yl]naphthalen-2-ol
SMILESCOc1cc(F)c(F)cc1-c1cc2ccccc2c(-c2c(O)c(-c3cc(F)c(F)cc3OC)cc3ccccc23)c1O
InChIInChI=1S/C34H22F4O4/c1-41-29-15-27(37)25(35)13-21(29)23-11-17-7-3-5-9-19(17)31(33(23)39)32-20-10-6-4-8-18(20)12-24(34(32)40)22-14-26(36)28(38)16-30(22)42-2/h3-16,39-40H,1-2H3
InChIKeyDEVPVXWHEPMFQD-UHFFFAOYSA-N
XLogP8.98
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.54
LogP ≤ 58.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4,5-difluoro-2-methoxyphenyl)-1-[3-(4,5-difluoro-2-methoxyphenyl)-2-hydroxynaphthalen-1-yl]naphthalen-2-ol?
The IUPAC name of 3-(4,5-difluoro-2-methoxyphenyl)-1-[3-(4,5-difluoro-2-methoxyphenyl)-2-hydroxynaphthalen-1-yl]naphthalen-2-ol (CID 15442820) is 3-(4,5-difluoro-2-methoxyphenyl)-1-[3-(4,5-difluoro-2-methoxyphenyl)-2-hydroxynaphthalen-1-yl]naphthalen-2-ol.
What is the SMILES notation for 3-(4,5-difluoro-2-methoxyphenyl)-1-[3-(4,5-difluoro-2-methoxyphenyl)-2-hydroxynaphthalen-1-yl]naphthalen-2-ol?
The canonical SMILES for 3-(4,5-difluoro-2-methoxyphenyl)-1-[3-(4,5-difluoro-2-methoxyphenyl)-2-hydroxynaphthalen-1-yl]naphthalen-2-ol is COc1cc(F)c(F)cc1-c1cc2ccccc2c(-c2c(O)c(-c3cc(F)c(F)cc3OC)cc3ccccc23)c1O.
What is the InChIKey of 3-(4,5-difluoro-2-methoxyphenyl)-1-[3-(4,5-difluoro-2-methoxyphenyl)-2-hydroxynaphthalen-1-yl]naphthalen-2-ol?
The InChIKey is DEVPVXWHEPMFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22F4O4/c1-41-29-15-27(37)25(35)13-21(29)23-11-17-7-3-5-9-19(17)31(33(23)39)32-20-10-6-4-8-18(20)12-24(34(32)40)22-14-26(36)28(38)16-30(22)42-2/h3-16,39-40H,1-2H3.
What are the key properties of 3-(4,5-difluoro-2-methoxyphenyl)-1-[3-(4,5-difluoro-2-methoxyphenyl)-2-hydroxynaphthalen-1-yl]naphthalen-2-ol?
3-(4,5-difluoro-2-methoxyphenyl)-1-[3-(4,5-difluoro-2-methoxyphenyl)-2-hydroxynaphthalen-1-yl]naphthalen-2-ol has a molecular weight of 570.54 g/mol, XLogP of 8.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-difluoro-2-methoxyphenyl)-1-[3-(4,5-difluoro-2-methoxyphenyl)-2-hydroxynaphthalen-1-yl]naphthalen-2-ol is sourced from PubChem (CID 15442820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).