6-chloro-1-(2-hydroxypropan-2-yl)naphthalen-2-ol

C13H13ClO2 — CID 84699715

IUPAC6-chloro-1-(2-hydroxypropan-2-yl)naphthalen-2-ol
SMILESCC(C)(O)c1c(O)ccc2cc(Cl)ccc12
InChIInChI=1S/C13H13ClO2/c1-13(2,16)12-10-5-4-9(14)7-8(10)3-6-11(12)15/h3-7,15-16H,1-2H3
InChIKeyBNIXINUZWPPRNR-UHFFFAOYSA-N
MW236.70 g/mol
LogP3.43
Rot. Bonds1

About 6-chloro-1-(2-hydroxypropan-2-yl)naphthalen-2-ol

6-chloro-1-(2-hydroxypropan-2-yl)naphthalen-2-ol (PubChem CID 84699715) has the molecular formula C13H13ClO2 and a molecular weight of 236.70 g/mol. Its IUPAC name is 6-chloro-1-(2-hydroxypropan-2-yl)naphthalen-2-ol.

Molecular Properties

Compound Name6-chloro-1-(2-hydroxypropan-2-yl)naphthalen-2-ol
PubChem CID84699715
Molecular FormulaC13H13ClO2
Molecular Weight236.70 g/mol
Exact Mass236.06
IUPAC Name6-chloro-1-(2-hydroxypropan-2-yl)naphthalen-2-ol
SMILESCC(C)(O)c1c(O)ccc2cc(Cl)ccc12
InChIInChI=1S/C13H13ClO2/c1-13(2,16)12-10-5-4-9(14)7-8(10)3-6-11(12)15/h3-7,15-16H,1-2H3
InChIKeyBNIXINUZWPPRNR-UHFFFAOYSA-N
XLogP3.43
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(2-hydroxypropan-2-yl)naphthalen-2-ol?
The IUPAC name of 6-chloro-1-(2-hydroxypropan-2-yl)naphthalen-2-ol (CID 84699715) is 6-chloro-1-(2-hydroxypropan-2-yl)naphthalen-2-ol.
What is the SMILES notation for 6-chloro-1-(2-hydroxypropan-2-yl)naphthalen-2-ol?
The canonical SMILES for 6-chloro-1-(2-hydroxypropan-2-yl)naphthalen-2-ol is CC(C)(O)c1c(O)ccc2cc(Cl)ccc12.
What is the InChIKey of 6-chloro-1-(2-hydroxypropan-2-yl)naphthalen-2-ol?
The InChIKey is BNIXINUZWPPRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClO2/c1-13(2,16)12-10-5-4-9(14)7-8(10)3-6-11(12)15/h3-7,15-16H,1-2H3.
What are the key properties of 6-chloro-1-(2-hydroxypropan-2-yl)naphthalen-2-ol?
6-chloro-1-(2-hydroxypropan-2-yl)naphthalen-2-ol has a molecular weight of 236.70 g/mol, XLogP of 3.43, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(2-hydroxypropan-2-yl)naphthalen-2-ol is sourced from PubChem (CID 84699715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).