CID 149349265

C8H7BO — CID 149349265

IUPAC—
SMILES[B]c1ccc(OC=C)cc1
InChIInChI=1S/C8H7BO/c1-2-10-8-5-3-7(9)4-6-8/h2-6H,1H2
InChIKeyUYMBTTCTTZNRRE-UHFFFAOYSA-N
MW129.95 g/mol
LogP1.00
Rot. Bonds2

About CID 149349265

CID 149349265 (PubChem CID 149349265) has the molecular formula C8H7BO and a molecular weight of 129.95 g/mol.

Molecular Properties

Compound NameCID 149349265
PubChem CID149349265
Molecular FormulaC8H7BO
Molecular Weight129.95 g/mol
Exact Mass130.06
IUPAC Name—
SMILES[B]c1ccc(OC=C)cc1
InChIInChI=1S/C8H7BO/c1-2-10-8-5-3-7(9)4-6-8/h2-6H,1H2
InChIKeyUYMBTTCTTZNRRE-UHFFFAOYSA-N
XLogP1.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.95
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze CID 149349265 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

1,4-bis(ethenoxy)benzene;ethane
CID 145326219
1-ethenoxy-4-(4-ethenoxyphenyl)benzene
CID 58944287
1-ethenoxy-4-(4-ethenoxyphenyl)sulfanylbenzene
CID 18739276
(4-ethenoxyphenyl)methanol
CID 11159400
1-benzyl-4-ethenoxybenzene
CID 21364304
1-(4-ethenoxyphenyl)ethanone
CID 14448263
4-ethenoxybenzamide
CID 66368618
(4-ethenoxyphenyl)methyl-methylsilane
CID 162179936
ethenoxybenzene;styrene
CID 158414612
1-ethenoxy-4-(2-methoxyethyl)benzene
CID 66366359
1-cyclohexyl-4-ethenoxybenzene
CID 67464363
N-[(4-ethenoxyphenyl)methyl]acetamide
CID 58445947

Frequently Asked Questions

What is the IUPAC name of CID 149349265?
The IUPAC name of CID 149349265 (CID 149349265) is not available.
What is the SMILES notation for CID 149349265?
The canonical SMILES for CID 149349265 is [B]c1ccc(OC=C)cc1.
What is the InChIKey of CID 149349265?
The InChIKey is UYMBTTCTTZNRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BO/c1-2-10-8-5-3-7(9)4-6-8/h2-6H,1H2.
What are the key properties of CID 149349265?
CID 149349265 has a molecular weight of 129.95 g/mol, XLogP of 1.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 149349265 is sourced from PubChem (CID 149349265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).