[2-chloro-5-(dimethylamino)phenyl]methanol

C9H12ClNO — CID 54011893

IUPAC[2-chloro-5-(dimethylamino)phenyl]methanol
SMILESCN(C)c1ccc(Cl)c(CO)c1
InChIInChI=1S/C9H12ClNO/c1-11(2)8-3-4-9(10)7(5-8)6-12/h3-5,12H,6H2,1-2H3
InChIKeyKSYAUZQKSOIOBW-UHFFFAOYSA-N
MW185.65 g/mol
LogP1.90
Rot. Bonds2

About [2-chloro-5-(dimethylamino)phenyl]methanol

[2-chloro-5-(dimethylamino)phenyl]methanol (PubChem CID 54011893) has the molecular formula C9H12ClNO and a molecular weight of 185.65 g/mol. Its IUPAC name is [2-chloro-5-(dimethylamino)phenyl]methanol.

Molecular Properties

Compound Name[2-chloro-5-(dimethylamino)phenyl]methanol
PubChem CID54011893
Molecular FormulaC9H12ClNO
Molecular Weight185.65 g/mol
Exact Mass185.06
IUPAC Name[2-chloro-5-(dimethylamino)phenyl]methanol
SMILESCN(C)c1ccc(Cl)c(CO)c1
InChIInChI=1S/C9H12ClNO/c1-11(2)8-3-4-9(10)7(5-8)6-12/h3-5,12H,6H2,1-2H3
InChIKeyKSYAUZQKSOIOBW-UHFFFAOYSA-N
XLogP1.90
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.65
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-chloro-5-(dimethylamino)phenyl]methanol?
The IUPAC name of [2-chloro-5-(dimethylamino)phenyl]methanol (CID 54011893) is [2-chloro-5-(dimethylamino)phenyl]methanol.
What is the SMILES notation for [2-chloro-5-(dimethylamino)phenyl]methanol?
The canonical SMILES for [2-chloro-5-(dimethylamino)phenyl]methanol is CN(C)c1ccc(Cl)c(CO)c1.
What is the InChIKey of [2-chloro-5-(dimethylamino)phenyl]methanol?
The InChIKey is KSYAUZQKSOIOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO/c1-11(2)8-3-4-9(10)7(5-8)6-12/h3-5,12H,6H2,1-2H3.
What are the key properties of [2-chloro-5-(dimethylamino)phenyl]methanol?
[2-chloro-5-(dimethylamino)phenyl]methanol has a molecular weight of 185.65 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-5-(dimethylamino)phenyl]methanol is sourced from PubChem (CID 54011893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).