1-bromo-6-(4-hydroxyphenyl)naphthalen-2-ol;6-(4-hydroxyphenyl)naphthalen-2-ol

C32H23BrO4 — CID 160998401

IUPAC1-bromo-6-(4-hydroxyphenyl)naphthalen-2-ol;6-(4-hydroxyphenyl)naphthalen-2-ol
SMILESOc1ccc(-c2ccc3c(Br)c(O)ccc3c2)cc1.Oc1ccc(-c2ccc3cc(O)ccc3c2)cc1
InChIInChI=1S/C16H11BrO2.C16H12O2/c17-16-14-7-3-11(9-12(14)4-8-15(16)19)10-1-5-13(18)6-2-10;17-15-6-3-11(4-7-15)12-1-2-14-10-16(18)8-5-13(14)9-12/h1-9,18-19H;1-10,17-18H
InChIKeyTVNWHHWHIGHPHR-UHFFFAOYSA-N
MW551.44 g/mol
LogP8.60
Rot. Bonds2

About 1-bromo-6-(4-hydroxyphenyl)naphthalen-2-ol;6-(4-hydroxyphenyl)naphthalen-2-ol

1-bromo-6-(4-hydroxyphenyl)naphthalen-2-ol;6-(4-hydroxyphenyl)naphthalen-2-ol (PubChem CID 160998401) has the molecular formula C32H23BrO4 and a molecular weight of 551.44 g/mol. Its IUPAC name is 1-bromo-6-(4-hydroxyphenyl)naphthalen-2-ol;6-(4-hydroxyphenyl)naphthalen-2-ol.

Molecular Properties

Compound Name1-bromo-6-(4-hydroxyphenyl)naphthalen-2-ol;6-(4-hydroxyphenyl)naphthalen-2-ol
PubChem CID160998401
Molecular FormulaC32H23BrO4
Molecular Weight551.44 g/mol
Exact Mass550.08
IUPAC Name1-bromo-6-(4-hydroxyphenyl)naphthalen-2-ol;6-(4-hydroxyphenyl)naphthalen-2-ol
SMILESOc1ccc(-c2ccc3c(Br)c(O)ccc3c2)cc1.Oc1ccc(-c2ccc3cc(O)ccc3c2)cc1
InChIInChI=1S/C16H11BrO2.C16H12O2/c17-16-14-7-3-11(9-12(14)4-8-15(16)19)10-1-5-13(18)6-2-10;17-15-6-3-11(4-7-15)12-1-2-14-10-16(18)8-5-13(14)9-12/h1-9,18-19H;1-10,17-18H
InChIKeyTVNWHHWHIGHPHR-UHFFFAOYSA-N
XLogP8.60
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.44
LogP ≤ 58.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-[7-(4-hydroxyphenyl)phenanthren-2-yl]phenol
CID 90294470
6-(4-hydroxyphenyl)naphthalen-2-ol;methane
CID 69476314
6-(4-hydroxyphenyl)naphthalen-1-ol
CID 10308021
5-(6-hydroxynaphthalen-2-yl)benzene-1,3-diol
CID 11514345
1,6-dibromonaphthalen-2-ol;sulfur dioxide
CID 70231756
5-bromo-2-(4-hydroxyphenyl)quinolin-6-ol
CID 135421237
1-chloro-6-(2-chloro-4-hydroxyphenyl)naphthalen-2-ol;6-(2-chloro-4-hydroxyphenyl)naphthalen-2-ol
CID 158113674
4-(1-bromo-6-hydroxynaphthalen-2-yl)benzoic acid
CID 57386408
6-[4-hydroxy-3-(trifluoromethyl)phenyl]naphthalen-2-ol
CID 122191867
6-(6-hydroxy-5-methylnaphthalen-2-yl)-1-methylnaphthalen-2-ol
CID 153453254
4-(6-aminonaphthalen-2-yl)phenol
CID 59449860
naphthalene-1,4-diol;naphthalene-2,6-diol
CID 67516588

Frequently Asked Questions

What is the IUPAC name of 1-bromo-6-(4-hydroxyphenyl)naphthalen-2-ol;6-(4-hydroxyphenyl)naphthalen-2-ol?
The IUPAC name of 1-bromo-6-(4-hydroxyphenyl)naphthalen-2-ol;6-(4-hydroxyphenyl)naphthalen-2-ol (CID 160998401) is 1-bromo-6-(4-hydroxyphenyl)naphthalen-2-ol;6-(4-hydroxyphenyl)naphthalen-2-ol.
What is the SMILES notation for 1-bromo-6-(4-hydroxyphenyl)naphthalen-2-ol;6-(4-hydroxyphenyl)naphthalen-2-ol?
The canonical SMILES for 1-bromo-6-(4-hydroxyphenyl)naphthalen-2-ol;6-(4-hydroxyphenyl)naphthalen-2-ol is Oc1ccc(-c2ccc3c(Br)c(O)ccc3c2)cc1.Oc1ccc(-c2ccc3cc(O)ccc3c2)cc1.
What is the InChIKey of 1-bromo-6-(4-hydroxyphenyl)naphthalen-2-ol;6-(4-hydroxyphenyl)naphthalen-2-ol?
The InChIKey is TVNWHHWHIGHPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrO2.C16H12O2/c17-16-14-7-3-11(9-12(14)4-8-15(16)19)10-1-5-13(18)6-2-10;17-15-6-3-11(4-7-15)12-1-2-14-10-16(18)8-5-13(14)9-12/h1-9,18-19H;1-10,17-18H.
What are the key properties of 1-bromo-6-(4-hydroxyphenyl)naphthalen-2-ol;6-(4-hydroxyphenyl)naphthalen-2-ol?
1-bromo-6-(4-hydroxyphenyl)naphthalen-2-ol;6-(4-hydroxyphenyl)naphthalen-2-ol has a molecular weight of 551.44 g/mol, XLogP of 8.60, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-6-(4-hydroxyphenyl)naphthalen-2-ol;6-(4-hydroxyphenyl)naphthalen-2-ol is sourced from PubChem (CID 160998401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).