7-(3,3-dichloroprop-2-enoxy)naphthalen-2-ol

C13H10Cl2O2 — CID 139750751

IUPAC7-(3,3-dichloroprop-2-enoxy)naphthalen-2-ol
SMILESOc1ccc2ccc(OCC=C(Cl)Cl)cc2c1
InChIInChI=1S/C13H10Cl2O2/c14-13(15)5-6-17-12-4-2-9-1-3-11(16)7-10(9)8-12/h1-5,7-8,16H,6H2
InChIKeyCWJIRLMQMKTHIF-UHFFFAOYSA-N
MW269.13 g/mol
LogP4.24
Rot. Bonds3

About 7-(3,3-dichloroprop-2-enoxy)naphthalen-2-ol

7-(3,3-dichloroprop-2-enoxy)naphthalen-2-ol (PubChem CID 139750751) has the molecular formula C13H10Cl2O2 and a molecular weight of 269.13 g/mol. Its IUPAC name is 7-(3,3-dichloroprop-2-enoxy)naphthalen-2-ol.

Molecular Properties

Compound Name7-(3,3-dichloroprop-2-enoxy)naphthalen-2-ol
PubChem CID139750751
Molecular FormulaC13H10Cl2O2
Molecular Weight269.13 g/mol
Exact Mass268.01
IUPAC Name7-(3,3-dichloroprop-2-enoxy)naphthalen-2-ol
SMILESOc1ccc2ccc(OCC=C(Cl)Cl)cc2c1
InChIInChI=1S/C13H10Cl2O2/c14-13(15)5-6-17-12-4-2-9-1-3-11(16)7-10(9)8-12/h1-5,7-8,16H,6H2
InChIKeyCWJIRLMQMKTHIF-UHFFFAOYSA-N
XLogP4.24
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.13
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(3,3-dichloroprop-2-enoxy)naphthalen-2-ol?
The IUPAC name of 7-(3,3-dichloroprop-2-enoxy)naphthalen-2-ol (CID 139750751) is 7-(3,3-dichloroprop-2-enoxy)naphthalen-2-ol.
What is the SMILES notation for 7-(3,3-dichloroprop-2-enoxy)naphthalen-2-ol?
The canonical SMILES for 7-(3,3-dichloroprop-2-enoxy)naphthalen-2-ol is Oc1ccc2ccc(OCC=C(Cl)Cl)cc2c1.
What is the InChIKey of 7-(3,3-dichloroprop-2-enoxy)naphthalen-2-ol?
The InChIKey is CWJIRLMQMKTHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2O2/c14-13(15)5-6-17-12-4-2-9-1-3-11(16)7-10(9)8-12/h1-5,7-8,16H,6H2.
What are the key properties of 7-(3,3-dichloroprop-2-enoxy)naphthalen-2-ol?
7-(3,3-dichloroprop-2-enoxy)naphthalen-2-ol has a molecular weight of 269.13 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,3-dichloroprop-2-enoxy)naphthalen-2-ol is sourced from PubChem (CID 139750751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).