CID 131886054

C13H12KO — CID 131886054

IUPAC—
SMILESOc1ccc(Cc2ccccc2)cc1.[K]
InChIInChI=1S/C13H12O.K/c14-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11;/h1-9,14H,10H2;
InChIKeyDIRPUZKQZLNVKW-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.60
Rot. Bonds2

About CID 131886054

CID 131886054 (PubChem CID 131886054) has the molecular formula C13H12KO and a molecular weight of 223.34 g/mol.

Molecular Properties

Compound NameCID 131886054
PubChem CID131886054
Molecular FormulaC13H12KO
Molecular Weight223.34 g/mol
Exact Mass223.05
IUPAC Name—
SMILESOc1ccc(Cc2ccccc2)cc1.[K]
InChIInChI=1S/C13H12O.K/c14-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11;/h1-9,14H,10H2;
InChIKeyDIRPUZKQZLNVKW-UHFFFAOYSA-N
XLogP2.60
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze CID 131886054 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

bis(benzene-1,4-diol);benzylbenzene
CID 159915102
4-[(4-hydroxyphenyl)methyl]phenol
CID 12111
4-[(4-diphenylphosphanylphenyl)methyl]phenol
CID 141151441
4-[(4-phenylsulfanylphenyl)methyl]phenol
CID 175400432
phenyl(113C)methylbenzene
CID 11194569
4-[[4-(4-hydroxyphenyl)phenyl]methyl]phenol
CID 58720488
1-benzyl-4-[(4-benzylphenyl)methyl]benzene;1,4-dibenzylbenzene;ethane
CID 158067654
1,4-dibenzylbenzene;ethane
CID 91406396
benzene-1,4-diol;[4-(hydroxymethyl)phenyl]methanol;phenol;phenylmethanol
CID 160554981
4-(3-benzylphenyl)phenol
CID 101277658
4-(4-phenylbut-2-enyl)phenol
CID 66608492
4-[(E)-4-phenylbut-2-enyl]phenol
CID 66608491

Frequently Asked Questions

What is the IUPAC name of CID 131886054?
The IUPAC name of CID 131886054 (CID 131886054) is not available.
What is the SMILES notation for CID 131886054?
The canonical SMILES for CID 131886054 is Oc1ccc(Cc2ccccc2)cc1.[K].
What is the InChIKey of CID 131886054?
The InChIKey is DIRPUZKQZLNVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O.K/c14-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11;/h1-9,14H,10H2;.
What are the key properties of CID 131886054?
CID 131886054 has a molecular weight of 223.34 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 131886054 is sourced from PubChem (CID 131886054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).