1-(3-chloro-8-hydroxy-6-bicyclo[3.2.1]octa-1(8),2,4-trienyl)naphthalen-2-ol

C18H13ClO2 — CID 91291962

IUPAC1-(3-chloro-8-hydroxy-6-bicyclo[3.2.1]octa-1(8),2,4-trienyl)naphthalen-2-ol
SMILESOc1ccc2ccccc2c1C1Cc2cc(Cl)cc1c2O
InChIInChI=1S/C18H13ClO2/c19-12-7-11-8-14(15(9-12)18(11)21)17-13-4-2-1-3-10(13)5-6-16(17)20/h1-7,9,14,20-21H,8H2
InChIKeyHXWVOIZMEYXWBV-UHFFFAOYSA-N
MW296.75 g/mol
LogP4.59
Rot. Bonds1

About 1-(3-chloro-8-hydroxy-6-bicyclo[3.2.1]octa-1(8),2,4-trienyl)naphthalen-2-ol

1-(3-chloro-8-hydroxy-6-bicyclo[3.2.1]octa-1(8),2,4-trienyl)naphthalen-2-ol (PubChem CID 91291962) has the molecular formula C18H13ClO2 and a molecular weight of 296.75 g/mol. Its IUPAC name is 1-(3-chloro-8-hydroxy-6-bicyclo[3.2.1]octa-1(8),2,4-trienyl)naphthalen-2-ol.

Molecular Properties

Compound Name1-(3-chloro-8-hydroxy-6-bicyclo[3.2.1]octa-1(8),2,4-trienyl)naphthalen-2-ol
PubChem CID91291962
Molecular FormulaC18H13ClO2
Molecular Weight296.75 g/mol
Exact Mass296.06
IUPAC Name1-(3-chloro-8-hydroxy-6-bicyclo[3.2.1]octa-1(8),2,4-trienyl)naphthalen-2-ol
SMILESOc1ccc2ccccc2c1C1Cc2cc(Cl)cc1c2O
InChIInChI=1S/C18H13ClO2/c19-12-7-11-8-14(15(9-12)18(11)21)17-13-4-2-1-3-10(13)5-6-16(17)20/h1-7,9,14,20-21H,8H2
InChIKeyHXWVOIZMEYXWBV-UHFFFAOYSA-N
XLogP4.59
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-8-hydroxy-6-bicyclo[3.2.1]octa-1(8),2,4-trienyl)naphthalen-2-ol?
The IUPAC name of 1-(3-chloro-8-hydroxy-6-bicyclo[3.2.1]octa-1(8),2,4-trienyl)naphthalen-2-ol (CID 91291962) is 1-(3-chloro-8-hydroxy-6-bicyclo[3.2.1]octa-1(8),2,4-trienyl)naphthalen-2-ol.
What is the SMILES notation for 1-(3-chloro-8-hydroxy-6-bicyclo[3.2.1]octa-1(8),2,4-trienyl)naphthalen-2-ol?
The canonical SMILES for 1-(3-chloro-8-hydroxy-6-bicyclo[3.2.1]octa-1(8),2,4-trienyl)naphthalen-2-ol is Oc1ccc2ccccc2c1C1Cc2cc(Cl)cc1c2O.
What is the InChIKey of 1-(3-chloro-8-hydroxy-6-bicyclo[3.2.1]octa-1(8),2,4-trienyl)naphthalen-2-ol?
The InChIKey is HXWVOIZMEYXWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClO2/c19-12-7-11-8-14(15(9-12)18(11)21)17-13-4-2-1-3-10(13)5-6-16(17)20/h1-7,9,14,20-21H,8H2.
What are the key properties of 1-(3-chloro-8-hydroxy-6-bicyclo[3.2.1]octa-1(8),2,4-trienyl)naphthalen-2-ol?
1-(3-chloro-8-hydroxy-6-bicyclo[3.2.1]octa-1(8),2,4-trienyl)naphthalen-2-ol has a molecular weight of 296.75 g/mol, XLogP of 4.59, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-8-hydroxy-6-bicyclo[3.2.1]octa-1(8),2,4-trienyl)naphthalen-2-ol is sourced from PubChem (CID 91291962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).