2-bromo-6-(2,3-difluoro-4-phenylmethoxyphenyl)naphthalene

C23H15BrF2O — CID 54431038

IUPAC2-bromo-6-(2,3-difluoro-4-phenylmethoxyphenyl)naphthalene
SMILESFc1c(OCc2ccccc2)ccc(-c2ccc3cc(Br)ccc3c2)c1F
InChIInChI=1S/C23H15BrF2O/c24-19-9-8-16-12-18(7-6-17(16)13-19)20-10-11-21(23(26)22(20)25)27-14-15-4-2-1-3-5-15/h1-13H,14H2
InChIKeyWHMSVYOZOXUUMA-UHFFFAOYSA-N
MW425.27 g/mol
LogP7.13
Rot. Bonds4

About 2-bromo-6-(2,3-difluoro-4-phenylmethoxyphenyl)naphthalene

2-bromo-6-(2,3-difluoro-4-phenylmethoxyphenyl)naphthalene (PubChem CID 54431038) has the molecular formula C23H15BrF2O and a molecular weight of 425.27 g/mol. Its IUPAC name is 2-bromo-6-(2,3-difluoro-4-phenylmethoxyphenyl)naphthalene.

Molecular Properties

Compound Name2-bromo-6-(2,3-difluoro-4-phenylmethoxyphenyl)naphthalene
PubChem CID54431038
Molecular FormulaC23H15BrF2O
Molecular Weight425.27 g/mol
Exact Mass424.03
IUPAC Name2-bromo-6-(2,3-difluoro-4-phenylmethoxyphenyl)naphthalene
SMILESFc1c(OCc2ccccc2)ccc(-c2ccc3cc(Br)ccc3c2)c1F
InChIInChI=1S/C23H15BrF2O/c24-19-9-8-16-12-18(7-6-17(16)13-19)20-10-11-21(23(26)22(20)25)27-14-15-4-2-1-3-5-15/h1-13H,14H2
InChIKeyWHMSVYOZOXUUMA-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

2-Bromo-6-ethoxynaphthalene
CID 236858
2-Benzyloxy-1-bromonaphthalene
CID 378883
2-Bromo-6-butoxynaphthalene
CID 3798414
2-(Allyloxy)-6-bromonaphthalene
CID 272210
7-Bromo-1-(7-bromo-2-methoxynaphthalen-1-yl)-2-methoxynaphthalene
CID 10743041
4-(Benzyloxy)-4'-bromo-1,1'-biphenyl
CID 22465773
9-(4-(2-Bromoethoxy)phenyl)-10-(4-methoxyphenyl)anthracene
CID 378370
5-[(1S)-1-(4-bromophenyl)-4,4,4-trifluorobutoxy]-2-(4-tert-butylphenyl)-1,3-dimethylbenzene
CID 134953140
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
9-Bromo-10-(2,6-difluoro-4-methoxyphenyl)phenanthrene
CID 154709387

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(2,3-difluoro-4-phenylmethoxyphenyl)naphthalene?
The IUPAC name of 2-bromo-6-(2,3-difluoro-4-phenylmethoxyphenyl)naphthalene (CID 54431038) is 2-bromo-6-(2,3-difluoro-4-phenylmethoxyphenyl)naphthalene.
What is the SMILES notation for 2-bromo-6-(2,3-difluoro-4-phenylmethoxyphenyl)naphthalene?
The canonical SMILES for 2-bromo-6-(2,3-difluoro-4-phenylmethoxyphenyl)naphthalene is Fc1c(OCc2ccccc2)ccc(-c2ccc3cc(Br)ccc3c2)c1F.
What is the InChIKey of 2-bromo-6-(2,3-difluoro-4-phenylmethoxyphenyl)naphthalene?
The InChIKey is WHMSVYOZOXUUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15BrF2O/c24-19-9-8-16-12-18(7-6-17(16)13-19)20-10-11-21(23(26)22(20)25)27-14-15-4-2-1-3-5-15/h1-13H,14H2.
What are the key properties of 2-bromo-6-(2,3-difluoro-4-phenylmethoxyphenyl)naphthalene?
2-bromo-6-(2,3-difluoro-4-phenylmethoxyphenyl)naphthalene 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 2-bromo-6-(2,3-difluoro-4-phenylmethoxyphenyl)naphthalene is sourced from PubChem (CID 54431038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).