2-(2-chloro-6-fluorophenyl)naphthalen-1-ol

C16H10ClFO — CID 166042727

IUPAC2-(2-chloro-6-fluorophenyl)naphthalen-1-ol
SMILESOc1c(-c2c(F)cccc2Cl)ccc2ccccc12
InChIInChI=1S/C16H10ClFO/c17-13-6-3-7-14(18)15(13)12-9-8-10-4-1-2-5-11(10)16(12)19/h1-9,19H
InChIKeyQGBQPJVNWDKVJQ-UHFFFAOYSA-N
MW272.71 g/mol
LogP5.00
Rot. Bonds1

About 2-(2-chloro-6-fluorophenyl)naphthalen-1-ol

2-(2-chloro-6-fluorophenyl)naphthalen-1-ol (PubChem CID 166042727) has the molecular formula C16H10ClFO and a molecular weight of 272.71 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)naphthalen-1-ol.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)naphthalen-1-ol
PubChem CID166042727
Molecular FormulaC16H10ClFO
Molecular Weight272.71 g/mol
Exact Mass272.04
IUPAC Name2-(2-chloro-6-fluorophenyl)naphthalen-1-ol
SMILESOc1c(-c2c(F)cccc2Cl)ccc2ccccc12
InChIInChI=1S/C16H10ClFO/c17-13-6-3-7-14(18)15(13)12-9-8-10-4-1-2-5-11(10)16(12)19/h1-9,19H
InChIKeyQGBQPJVNWDKVJQ-UHFFFAOYSA-N
XLogP5.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.71
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)naphthalen-1-ol?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)naphthalen-1-ol (CID 166042727) is 2-(2-chloro-6-fluorophenyl)naphthalen-1-ol.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)naphthalen-1-ol?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)naphthalen-1-ol is Oc1c(-c2c(F)cccc2Cl)ccc2ccccc12.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)naphthalen-1-ol?
The InChIKey is QGBQPJVNWDKVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClFO/c17-13-6-3-7-14(18)15(13)12-9-8-10-4-1-2-5-11(10)16(12)19/h1-9,19H.
What are the key properties of 2-(2-chloro-6-fluorophenyl)naphthalen-1-ol?
2-(2-chloro-6-fluorophenyl)naphthalen-1-ol has a molecular weight of 272.71 g/mol, XLogP of 5.00, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)naphthalen-1-ol is sourced from PubChem (CID 166042727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).