1-chloro-6-(3-fluoro-4-hydroxyphenyl)naphthalen-2-ol

C16H10ClFO2 — CID 10171666

IUPAC1-chloro-6-(3-fluoro-4-hydroxyphenyl)naphthalen-2-ol
SMILESOc1ccc(-c2ccc3c(Cl)c(O)ccc3c2)cc1F
InChIInChI=1S/C16H10ClFO2/c17-16-12-4-1-9(7-11(12)3-6-15(16)20)10-2-5-14(19)13(18)8-10/h1-8,19-20H
InChIKeyHZPYQCSGTTZVLW-UHFFFAOYSA-N
MW288.71 g/mol
LogP4.71
Rot. Bonds1

About 1-chloro-6-(3-fluoro-4-hydroxyphenyl)naphthalen-2-ol

1-chloro-6-(3-fluoro-4-hydroxyphenyl)naphthalen-2-ol (PubChem CID 10171666) has the molecular formula C16H10ClFO2 and a molecular weight of 288.71 g/mol. Its IUPAC name is 1-chloro-6-(3-fluoro-4-hydroxyphenyl)naphthalen-2-ol.

Molecular Properties

Compound Name1-chloro-6-(3-fluoro-4-hydroxyphenyl)naphthalen-2-ol
PubChem CID10171666
Molecular FormulaC16H10ClFO2
Molecular Weight288.71 g/mol
Exact Mass288.04
IUPAC Name1-chloro-6-(3-fluoro-4-hydroxyphenyl)naphthalen-2-ol
SMILESOc1ccc(-c2ccc3c(Cl)c(O)ccc3c2)cc1F
InChIInChI=1S/C16H10ClFO2/c17-16-12-4-1-9(7-11(12)3-6-15(16)20)10-2-5-14(19)13(18)8-10/h1-8,19-20H
InChIKeyHZPYQCSGTTZVLW-UHFFFAOYSA-N
XLogP4.71
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.71
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-6-(3-fluoro-4-hydroxyphenyl)naphthalen-2-ol?
The IUPAC name of 1-chloro-6-(3-fluoro-4-hydroxyphenyl)naphthalen-2-ol (CID 10171666) is 1-chloro-6-(3-fluoro-4-hydroxyphenyl)naphthalen-2-ol.
What is the SMILES notation for 1-chloro-6-(3-fluoro-4-hydroxyphenyl)naphthalen-2-ol?
The canonical SMILES for 1-chloro-6-(3-fluoro-4-hydroxyphenyl)naphthalen-2-ol is Oc1ccc(-c2ccc3c(Cl)c(O)ccc3c2)cc1F.
What is the InChIKey of 1-chloro-6-(3-fluoro-4-hydroxyphenyl)naphthalen-2-ol?
The InChIKey is HZPYQCSGTTZVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClFO2/c17-16-12-4-1-9(7-11(12)3-6-15(16)20)10-2-5-14(19)13(18)8-10/h1-8,19-20H.
What are the key properties of 1-chloro-6-(3-fluoro-4-hydroxyphenyl)naphthalen-2-ol?
1-chloro-6-(3-fluoro-4-hydroxyphenyl)naphthalen-2-ol has a molecular weight of 288.71 g/mol, XLogP of 4.71, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-6-(3-fluoro-4-hydroxyphenyl)naphthalen-2-ol is sourced from PubChem (CID 10171666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).