1-bromo-6-(3-hydroxyphenyl)naphthalen-2-ol

C16H11BrO2 — CID 24950391

IUPAC1-bromo-6-(3-hydroxyphenyl)naphthalen-2-ol
SMILESOc1cccc(-c2ccc3c(Br)c(O)ccc3c2)c1
InChIInChI=1S/C16H11BrO2/c17-16-14-6-4-11(8-12(14)5-7-15(16)19)10-2-1-3-13(18)9-10/h1-9,18-19H
InChIKeyWIVQIQQCUPQEGH-UHFFFAOYSA-N
MW315.17 g/mol
LogP4.68
Rot. Bonds1

About 1-bromo-6-(3-hydroxyphenyl)naphthalen-2-ol

1-bromo-6-(3-hydroxyphenyl)naphthalen-2-ol (PubChem CID 24950391) has the molecular formula C16H11BrO2 and a molecular weight of 315.17 g/mol. Its IUPAC name is 1-bromo-6-(3-hydroxyphenyl)naphthalen-2-ol.

Molecular Properties

Compound Name1-bromo-6-(3-hydroxyphenyl)naphthalen-2-ol
PubChem CID24950391
Molecular FormulaC16H11BrO2
Molecular Weight315.17 g/mol
Exact Mass313.99
IUPAC Name1-bromo-6-(3-hydroxyphenyl)naphthalen-2-ol
SMILESOc1cccc(-c2ccc3c(Br)c(O)ccc3c2)c1
InChIInChI=1S/C16H11BrO2/c17-16-14-6-4-11(8-12(14)5-7-15(16)19)10-2-1-3-13(18)9-10/h1-9,18-19H
InChIKeyWIVQIQQCUPQEGH-UHFFFAOYSA-N
XLogP4.68
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-6-(3-hydroxyphenyl)naphthalen-2-ol?
The IUPAC name of 1-bromo-6-(3-hydroxyphenyl)naphthalen-2-ol (CID 24950391) is 1-bromo-6-(3-hydroxyphenyl)naphthalen-2-ol.
What is the SMILES notation for 1-bromo-6-(3-hydroxyphenyl)naphthalen-2-ol?
The canonical SMILES for 1-bromo-6-(3-hydroxyphenyl)naphthalen-2-ol is Oc1cccc(-c2ccc3c(Br)c(O)ccc3c2)c1.
What is the InChIKey of 1-bromo-6-(3-hydroxyphenyl)naphthalen-2-ol?
The InChIKey is WIVQIQQCUPQEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrO2/c17-16-14-6-4-11(8-12(14)5-7-15(16)19)10-2-1-3-13(18)9-10/h1-9,18-19H.
What are the key properties of 1-bromo-6-(3-hydroxyphenyl)naphthalen-2-ol?
1-bromo-6-(3-hydroxyphenyl)naphthalen-2-ol has a molecular weight of 315.17 g/mol, XLogP of 4.68, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-6-(3-hydroxyphenyl)naphthalen-2-ol is sourced from PubChem (CID 24950391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).