4-chlorophenol;methanamine

C7H10ClNO — CID 143345644

IUPAC4-chlorophenol;methanamine
SMILESCN.Oc1ccc(Cl)cc1
InChIInChI=1S/C6H5ClO.CH5N/c7-5-1-3-6(8)4-2-5;1-2/h1-4,8H;2H2,1H3
InChIKeyKVCVDILVKSISMJ-UHFFFAOYSA-N
MW159.62 g/mol
LogP1.62
Rot. Bonds

About 4-chlorophenol;methanamine

4-chlorophenol;methanamine (PubChem CID 143345644) has the molecular formula C7H10ClNO and a molecular weight of 159.62 g/mol. Its IUPAC name is 4-chlorophenol;methanamine.

Molecular Properties

Compound Name4-chlorophenol;methanamine
PubChem CID143345644
Molecular FormulaC7H10ClNO
Molecular Weight159.62 g/mol
Exact Mass159.05
IUPAC Name4-chlorophenol;methanamine
SMILESCN.Oc1ccc(Cl)cc1
InChIInChI=1S/C6H5ClO.CH5N/c7-5-1-3-6(8)4-2-5;1-2/h1-4,8H;2H2,1H3
InChIKeyKVCVDILVKSISMJ-UHFFFAOYSA-N
XLogP1.62
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.62
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chlorophenol;methanamine?
The IUPAC name of 4-chlorophenol;methanamine (CID 143345644) is 4-chlorophenol;methanamine.
What is the SMILES notation for 4-chlorophenol;methanamine?
The canonical SMILES for 4-chlorophenol;methanamine is CN.Oc1ccc(Cl)cc1.
What is the InChIKey of 4-chlorophenol;methanamine?
The InChIKey is KVCVDILVKSISMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClO.CH5N/c7-5-1-3-6(8)4-2-5;1-2/h1-4,8H;2H2,1H3.
What are the key properties of 4-chlorophenol;methanamine?
4-chlorophenol;methanamine has a molecular weight of 159.62 g/mol, XLogP of 1.62, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chlorophenol;methanamine is sourced from PubChem (CID 143345644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).