2-chloro-4-(7-hydroxynaphthalen-2-yl)oxybenzonitrile

C17H10ClNO2 — CID 62944406

IUPAC2-chloro-4-(7-hydroxynaphthalen-2-yl)oxybenzonitrile
SMILESN#Cc1ccc(Oc2ccc3ccc(O)cc3c2)cc1Cl
InChIInChI=1S/C17H10ClNO2/c18-17-9-16(6-3-12(17)10-19)21-15-5-2-11-1-4-14(20)7-13(11)8-15/h1-9,20H
InChIKeyGDCRPOMSKRPRLJ-UHFFFAOYSA-N
MW295.73 g/mol
LogP4.86
Rot. Bonds2

About 2-chloro-4-(7-hydroxynaphthalen-2-yl)oxybenzonitrile

2-chloro-4-(7-hydroxynaphthalen-2-yl)oxybenzonitrile (PubChem CID 62944406) has the molecular formula C17H10ClNO2 and a molecular weight of 295.73 g/mol. Its IUPAC name is 2-chloro-4-(7-hydroxynaphthalen-2-yl)oxybenzonitrile.

Molecular Properties

Compound Name2-chloro-4-(7-hydroxynaphthalen-2-yl)oxybenzonitrile
PubChem CID62944406
Molecular FormulaC17H10ClNO2
Molecular Weight295.73 g/mol
Exact Mass295.04
IUPAC Name2-chloro-4-(7-hydroxynaphthalen-2-yl)oxybenzonitrile
SMILESN#Cc1ccc(Oc2ccc3ccc(O)cc3c2)cc1Cl
InChIInChI=1S/C17H10ClNO2/c18-17-9-16(6-3-12(17)10-19)21-15-5-2-11-1-4-14(20)7-13(11)8-15/h1-9,20H
InChIKeyGDCRPOMSKRPRLJ-UHFFFAOYSA-N
XLogP4.86
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.73
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(7-hydroxynaphthalen-2-yl)oxybenzonitrile?
The IUPAC name of 2-chloro-4-(7-hydroxynaphthalen-2-yl)oxybenzonitrile (CID 62944406) is 2-chloro-4-(7-hydroxynaphthalen-2-yl)oxybenzonitrile.
What is the SMILES notation for 2-chloro-4-(7-hydroxynaphthalen-2-yl)oxybenzonitrile?
The canonical SMILES for 2-chloro-4-(7-hydroxynaphthalen-2-yl)oxybenzonitrile is N#Cc1ccc(Oc2ccc3ccc(O)cc3c2)cc1Cl.
What is the InChIKey of 2-chloro-4-(7-hydroxynaphthalen-2-yl)oxybenzonitrile?
The InChIKey is GDCRPOMSKRPRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClNO2/c18-17-9-16(6-3-12(17)10-19)21-15-5-2-11-1-4-14(20)7-13(11)8-15/h1-9,20H.
What are the key properties of 2-chloro-4-(7-hydroxynaphthalen-2-yl)oxybenzonitrile?
2-chloro-4-(7-hydroxynaphthalen-2-yl)oxybenzonitrile has a molecular weight of 295.73 g/mol, XLogP of 4.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(7-hydroxynaphthalen-2-yl)oxybenzonitrile is sourced from PubChem (CID 62944406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).