benzene;hypochlorous acid;phenol

C12H13ClO2 — CID 174898371

IUPACbenzene;hypochlorous acid;phenol
SMILESOCl.Oc1ccccc1.c1ccccc1
InChIInChI=1S/C6H6O.C6H6.ClHO/c7-6-4-2-1-3-5-6;1-2-4-6-5-3-1;1-2/h1-5,7H;1-6H;2H
InChIKeyFCKWWRBDNSLNSF-UHFFFAOYSA-N
MW224.69 g/mol
LogP3.21
Rot. Bonds

About benzene;hypochlorous acid;phenol

benzene;hypochlorous acid;phenol (PubChem CID 174898371) has the molecular formula C12H13ClO2 and a molecular weight of 224.69 g/mol. Its IUPAC name is benzene;hypochlorous acid;phenol.

Molecular Properties

Compound Namebenzene;hypochlorous acid;phenol
PubChem CID174898371
Molecular FormulaC12H13ClO2
Molecular Weight224.69 g/mol
Exact Mass224.06
IUPAC Namebenzene;hypochlorous acid;phenol
SMILESOCl.Oc1ccccc1.c1ccccc1
InChIInChI=1S/C6H6O.C6H6.ClHO/c7-6-4-2-1-3-5-6;1-2-4-6-5-3-1;1-2/h1-5,7H;1-6H;2H
InChIKeyFCKWWRBDNSLNSF-UHFFFAOYSA-N
XLogP3.21
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze benzene;hypochlorous acid;phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

azane;hypochlorous acid;phenol
CID 159093398
carbonochloridic acid;phenol
CID 87237620
argon;phenol
CID 159678450
molybdenum;phenol
CID 154246724
phenol;phosphane
CID 159689182
CID 67496590
CID 67496590
phenol;tantalum
CID 19915613
neodymium;phenol
CID 154361260
phenol;titanium(2+)
CID 23042599
aluminum phenol
CID 19023057
CID 159904044
CID 159904044
CID 161001247
CID 161001247

Frequently Asked Questions

What is the IUPAC name of benzene;hypochlorous acid;phenol?
The IUPAC name of benzene;hypochlorous acid;phenol (CID 174898371) is benzene;hypochlorous acid;phenol.
What is the SMILES notation for benzene;hypochlorous acid;phenol?
The canonical SMILES for benzene;hypochlorous acid;phenol is OCl.Oc1ccccc1.c1ccccc1.
What is the InChIKey of benzene;hypochlorous acid;phenol?
The InChIKey is FCKWWRBDNSLNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O.C6H6.ClHO/c7-6-4-2-1-3-5-6;1-2-4-6-5-3-1;1-2/h1-5,7H;1-6H;2H.
What are the key properties of benzene;hypochlorous acid;phenol?
benzene;hypochlorous acid;phenol has a molecular weight of 224.69 g/mol, XLogP of 3.21, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;hypochlorous acid;phenol is sourced from PubChem (CID 174898371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).