1-bromo-3-(3,5-difluorophenyl)-2-phenylmethoxynaphthalene

C23H15BrF2O — CID 164672872

IUPAC1-bromo-3-(3,5-difluorophenyl)-2-phenylmethoxynaphthalene
SMILESFc1cc(F)cc(-c2cc3ccccc3c(Br)c2OCc2ccccc2)c1
InChIInChI=1S/C23H15BrF2O/c24-22-20-9-5-4-8-16(20)12-21(17-10-18(25)13-19(26)11-17)23(22)27-14-15-6-2-1-3-7-15/h1-13H,14H2
InChIKeyRSTUSQGJQQHWSG-UHFFFAOYSA-N
MW425.27 g/mol
LogP7.13
Rot. Bonds4

About 1-bromo-3-(3,5-difluorophenyl)-2-phenylmethoxynaphthalene

1-bromo-3-(3,5-difluorophenyl)-2-phenylmethoxynaphthalene (PubChem CID 164672872) has the molecular formula C23H15BrF2O and a molecular weight of 425.27 g/mol. Its IUPAC name is 1-bromo-3-(3,5-difluorophenyl)-2-phenylmethoxynaphthalene.

Molecular Properties

Compound Name1-bromo-3-(3,5-difluorophenyl)-2-phenylmethoxynaphthalene
PubChem CID164672872
Molecular FormulaC23H15BrF2O
Molecular Weight425.27 g/mol
Exact Mass424.03
IUPAC Name1-bromo-3-(3,5-difluorophenyl)-2-phenylmethoxynaphthalene
SMILESFc1cc(F)cc(-c2cc3ccccc3c(Br)c2OCc2ccccc2)c1
InChIInChI=1S/C23H15BrF2O/c24-22-20-9-5-4-8-16(20)12-21(17-10-18(25)13-19(26)11-17)23(22)27-14-15-6-2-1-3-7-15/h1-13H,14H2
InChIKeyRSTUSQGJQQHWSG-UHFFFAOYSA-N
XLogP7.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.27
LogP ≤ 57.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(S)-3,3'-Dibromo-2,2'-dimethoxy-1,1'-binaphthyl
CID 394170
2-Benzyloxy-1-bromonaphthalene
CID 378883
1-Bromo-2-allyloxynaphthalene
CID 2268924
1-Bromo-2-ethoxynaphthalene
CID 10966944
4,5,6,7-Tetrafluoro-12-oxapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,15,17,19,21-decaene
CID 102389685
3-bromo-2-[(E)-3-(4-fluorophenyl)prop-2-enoxy]-1-methylnaphthalene
CID 135067953
1-Bromo-2-[(1-bromo-3,4,5,6,7,8-hexafluoronaphthalen-2-yl)methoxy]-3,4,5,6,7,8-hexafluoronaphthalene
CID 139248166
1-Bromo-2-[(1-bromonaphthalen-2-yl)oxymethyl]-3,4,5,6,7,8-hexafluoronaphthalene
CID 139248167
15,16,18,19,20,21-Hexafluoro-12-oxapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,15,17(22),18,20-decaene
CID 139248169
9-Bromo-10-(2,6-difluoro-4-methoxyphenyl)phenanthrene
CID 154709387
9-(2,2,2-Trifluoroethoxy)phenanthrene
CID 162400657
1-Bromo-6-[1-(4-bromobutoxy)-2,2,2-trifluoroethyl]-2-methoxynaphthalene
CID 164668412

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(3,5-difluorophenyl)-2-phenylmethoxynaphthalene?
The IUPAC name of 1-bromo-3-(3,5-difluorophenyl)-2-phenylmethoxynaphthalene (CID 164672872) is 1-bromo-3-(3,5-difluorophenyl)-2-phenylmethoxynaphthalene.
What is the SMILES notation for 1-bromo-3-(3,5-difluorophenyl)-2-phenylmethoxynaphthalene?
The canonical SMILES for 1-bromo-3-(3,5-difluorophenyl)-2-phenylmethoxynaphthalene is Fc1cc(F)cc(-c2cc3ccccc3c(Br)c2OCc2ccccc2)c1.
What is the InChIKey of 1-bromo-3-(3,5-difluorophenyl)-2-phenylmethoxynaphthalene?
The InChIKey is RSTUSQGJQQHWSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15BrF2O/c24-22-20-9-5-4-8-16(20)12-21(17-10-18(25)13-19(26)11-17)23(22)27-14-15-6-2-1-3-7-15/h1-13H,14H2.
What are the key properties of 1-bromo-3-(3,5-difluorophenyl)-2-phenylmethoxynaphthalene?
1-bromo-3-(3,5-difluorophenyl)-2-phenylmethoxynaphthalene has a molecular weight of 425.27 g/mol, XLogP of 7.13, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(3,5-difluorophenyl)-2-phenylmethoxynaphthalene is sourced from PubChem (CID 164672872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).