1-chloro-6-(2,5-difluoro-4-hydroxyphenyl)naphthalen-2-ol

C16H9ClF2O2 — CID 10149610

IUPAC1-chloro-6-(2,5-difluoro-4-hydroxyphenyl)naphthalen-2-ol
SMILESOc1cc(F)c(-c2ccc3c(Cl)c(O)ccc3c2)cc1F
InChIInChI=1S/C16H9ClF2O2/c17-16-10-3-1-9(5-8(10)2-4-14(16)20)11-6-13(19)15(21)7-12(11)18/h1-7,20-21H
InChIKeyDZNMJDCCSRLHNP-UHFFFAOYSA-N
MW306.70 g/mol
LogP4.85
Rot. Bonds1

About 1-chloro-6-(2,5-difluoro-4-hydroxyphenyl)naphthalen-2-ol

1-chloro-6-(2,5-difluoro-4-hydroxyphenyl)naphthalen-2-ol (PubChem CID 10149610) has the molecular formula C16H9ClF2O2 and a molecular weight of 306.70 g/mol. Its IUPAC name is 1-chloro-6-(2,5-difluoro-4-hydroxyphenyl)naphthalen-2-ol.

Molecular Properties

Compound Name1-chloro-6-(2,5-difluoro-4-hydroxyphenyl)naphthalen-2-ol
PubChem CID10149610
Molecular FormulaC16H9ClF2O2
Molecular Weight306.70 g/mol
Exact Mass306.03
IUPAC Name1-chloro-6-(2,5-difluoro-4-hydroxyphenyl)naphthalen-2-ol
SMILESOc1cc(F)c(-c2ccc3c(Cl)c(O)ccc3c2)cc1F
InChIInChI=1S/C16H9ClF2O2/c17-16-10-3-1-9(5-8(10)2-4-14(16)20)11-6-13(19)15(21)7-12(11)18/h1-7,20-21H
InChIKeyDZNMJDCCSRLHNP-UHFFFAOYSA-N
XLogP4.85
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.70
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-6-(2,5-difluoro-4-hydroxyphenyl)naphthalen-2-ol?
The IUPAC name of 1-chloro-6-(2,5-difluoro-4-hydroxyphenyl)naphthalen-2-ol (CID 10149610) is 1-chloro-6-(2,5-difluoro-4-hydroxyphenyl)naphthalen-2-ol.
What is the SMILES notation for 1-chloro-6-(2,5-difluoro-4-hydroxyphenyl)naphthalen-2-ol?
The canonical SMILES for 1-chloro-6-(2,5-difluoro-4-hydroxyphenyl)naphthalen-2-ol is Oc1cc(F)c(-c2ccc3c(Cl)c(O)ccc3c2)cc1F.
What is the InChIKey of 1-chloro-6-(2,5-difluoro-4-hydroxyphenyl)naphthalen-2-ol?
The InChIKey is DZNMJDCCSRLHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClF2O2/c17-16-10-3-1-9(5-8(10)2-4-14(16)20)11-6-13(19)15(21)7-12(11)18/h1-7,20-21H.
What are the key properties of 1-chloro-6-(2,5-difluoro-4-hydroxyphenyl)naphthalen-2-ol?
1-chloro-6-(2,5-difluoro-4-hydroxyphenyl)naphthalen-2-ol has a molecular weight of 306.70 g/mol, XLogP of 4.85, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-6-(2,5-difluoro-4-hydroxyphenyl)naphthalen-2-ol is sourced from PubChem (CID 10149610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).