CID 159499865

C11H10BO — CID 159499865

IUPAC—
SMILESCc1ccc2cc(O)ccc2c1.[B]
InChIInChI=1S/C11H10O.B/c1-8-2-3-10-7-11(12)5-4-9(10)6-8;/h2-7,12H,1H3;
InChIKeyFRRBWWOUWYCEET-UHFFFAOYSA-N
MW169.01 g/mol
LogP2.47
Rot. Bonds

About CID 159499865

CID 159499865 (PubChem CID 159499865) has the molecular formula C11H10BO and a molecular weight of 169.01 g/mol.

Molecular Properties

Compound NameCID 159499865
PubChem CID159499865
Molecular FormulaC11H10BO
Molecular Weight169.01 g/mol
Exact Mass169.08
IUPAC Name—
SMILESCc1ccc2cc(O)ccc2c1.[B]
InChIInChI=1S/C11H10O.B/c1-8-2-3-10-7-11(12)5-4-9(10)6-8;/h2-7,12H,1H3;
InChIKeyFRRBWWOUWYCEET-UHFFFAOYSA-N
XLogP2.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.01
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze CID 159499865 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

7-methylnaphthalen-2-ol
CID 67841093
2-bromo-6-methylnaphthalene;6-bromonaphthalen-2-ol
CID 161075260
[4-(6-hydroxynaphthalene-2-carbonyl)oxyphenyl] 6-methylnaphthalene-2-carboxylate
CID 89329145
ethane;2-ethylnaphthalene;6-methylnaphthalen-2-ol
CID 143631161
2,9-dimethylpentacene
CID 11460950
sodium;hydride;naphthalene-2,6-diol
CID 174639769
6-methylnaphthalen-2-ol;2-methyl-6-phenylmethoxynaphthalene
CID 158113747
2,6-dimethylnaphthalene;propane
CID 142191183
6-[9-(6-hydroxynaphthalen-2-yl)-2,7-dimethylfluoren-9-yl]naphthalen-2-ol
CID 163275915
ethane;naphthalen-2-ol
CID 91107047
2,6-dimethylnaphthalene;2-methylnaphthalene
CID 158480305
naphthalen-2-ol
CID 71750931

Frequently Asked Questions

What is the IUPAC name of CID 159499865?
The IUPAC name of CID 159499865 (CID 159499865) is not available.
What is the SMILES notation for CID 159499865?
The canonical SMILES for CID 159499865 is Cc1ccc2cc(O)ccc2c1.[B].
What is the InChIKey of CID 159499865?
The InChIKey is FRRBWWOUWYCEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O.B/c1-8-2-3-10-7-11(12)5-4-9(10)6-8;/h2-7,12H,1H3;.
What are the key properties of CID 159499865?
CID 159499865 has a molecular weight of 169.01 g/mol, XLogP of 2.47, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159499865 is sourced from PubChem (CID 159499865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).