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

C13H13ClO2 — CID 117345844

IUPAC6-chloro-1-(1-hydroxypropan-2-yl)naphthalen-2-ol
SMILESCC(CO)c1c(O)ccc2cc(Cl)ccc12
InChIInChI=1S/C13H13ClO2/c1-8(7-15)13-11-4-3-10(14)6-9(11)2-5-12(13)16/h2-6,8,15-16H,7H2,1H3
InChIKeyBBSXHQFDSRHGMS-UHFFFAOYSA-N
MW236.70 g/mol
LogP3.29
Rot. Bonds2

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

6-chloro-1-(1-hydroxypropan-2-yl)naphthalen-2-ol (PubChem CID 117345844) has the molecular formula C13H13ClO2 and a molecular weight of 236.70 g/mol. Its IUPAC name is 6-chloro-1-(1-hydroxypropan-2-yl)naphthalen-2-ol.

Molecular Properties

Compound Name6-chloro-1-(1-hydroxypropan-2-yl)naphthalen-2-ol
PubChem CID117345844
Molecular FormulaC13H13ClO2
Molecular Weight236.70 g/mol
Exact Mass236.06
IUPAC Name6-chloro-1-(1-hydroxypropan-2-yl)naphthalen-2-ol
SMILESCC(CO)c1c(O)ccc2cc(Cl)ccc12
InChIInChI=1S/C13H13ClO2/c1-8(7-15)13-11-4-3-10(14)6-9(11)2-5-12(13)16/h2-6,8,15-16H,7H2,1H3
InChIKeyBBSXHQFDSRHGMS-UHFFFAOYSA-N
XLogP3.29
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-1-(1-hydroxypropan-2-yl)naphthalen-2-ol
CID 117451047
6-chloro-1-(2-hydroxypropan-2-yl)naphthalen-2-ol
CID 84699715
5-chloro-4-fluoro-3-(1-hydroxypropan-2-yl)benzene-1,2-diol
CID 117314997
3,6-difluoro-2-(1-hydroxypropan-2-yl)phenol
CID 117281030
2,6-dichlorophenanthrene
CID 123290984
2-(6-chloro-1-benzofuran-2-yl)propan-1-ol
CID 117122391
1-(6-chloro-2-hydroxynaphthalen-1-yl)-2-(methylamino)ethanone
CID 117377891
2-(2-chloro-3,6-difluorophenyl)propan-1-ol
CID 117295344
2-amino-3-(6-chloro-2-hydroxynaphthalen-1-yl)propanoic acid
CID 117418371
6-(3-methylpentan-3-yl)-1-propan-2-ylnaphthalen-2-ol
CID 22600556
5-chloro-4-fluoro-3-(1-hydroxypropan-2-yl)-2-methoxyphenol
CID 117341372
2-(5-chloro-1-ethylindol-2-yl)propan-1-ol
CID 117121568

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(1-hydroxypropan-2-yl)naphthalen-2-ol?
The IUPAC name of 6-chloro-1-(1-hydroxypropan-2-yl)naphthalen-2-ol (CID 117345844) is 6-chloro-1-(1-hydroxypropan-2-yl)naphthalen-2-ol.
What is the SMILES notation for 6-chloro-1-(1-hydroxypropan-2-yl)naphthalen-2-ol?
The canonical SMILES for 6-chloro-1-(1-hydroxypropan-2-yl)naphthalen-2-ol is CC(CO)c1c(O)ccc2cc(Cl)ccc12.
What is the InChIKey of 6-chloro-1-(1-hydroxypropan-2-yl)naphthalen-2-ol?
The InChIKey is BBSXHQFDSRHGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClO2/c1-8(7-15)13-11-4-3-10(14)6-9(11)2-5-12(13)16/h2-6,8,15-16H,7H2,1H3.
What are the key properties of 6-chloro-1-(1-hydroxypropan-2-yl)naphthalen-2-ol?
6-chloro-1-(1-hydroxypropan-2-yl)naphthalen-2-ol has a molecular weight of 236.70 g/mol, XLogP of 3.29, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(1-hydroxypropan-2-yl)naphthalen-2-ol is sourced from PubChem (CID 117345844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).