CID 167405011

C8H8BO3 — CID 167405011

IUPAC—
SMILESCOc1ccc(C=O)cc1[B]O
InChIInChI=1S/C8H8BO3/c1-12-8-3-2-6(5-10)4-7(8)9-11/h2-5,11H,1H3
InChIKeyWUCWFPGOQHSMLP-UHFFFAOYSA-N
MW162.96 g/mol
LogP-0.26
Rot. Bonds3

About CID 167405011

CID 167405011 (PubChem CID 167405011) has the molecular formula C8H8BO3 and a molecular weight of 162.96 g/mol.

Molecular Properties

Compound NameCID 167405011
PubChem CID167405011
Molecular FormulaC8H8BO3
Molecular Weight162.96 g/mol
Exact Mass163.06
IUPAC Name—
SMILESCOc1ccc(C=O)cc1[B]O
InChIInChI=1S/C8H8BO3/c1-12-8-3-2-6(5-10)4-7(8)9-11/h2-5,11H,1H3
InChIKeyWUCWFPGOQHSMLP-UHFFFAOYSA-N
XLogP-0.26
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.96
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxy-4-methoxybenzaldehyde
CID 87256894
ethane;3-hydroxy-4-methoxybenzaldehyde
CID 145493378
3-chloro-4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbaldehyde
CID 101137815
3,4-dimethoxybenzaldehyde;4-hydroxy-3-methoxybenzaldehyde
CID 174683420
4-(2-hydroxyethoxy)-3-methoxybenzaldehyde
CID 3152712
3-(4-fluorophenyl)-4-methoxybenzaldehyde
CID 22391234
CID 130345281
CID 130345281
4-methoxy-3-(4-methylphenyl)benzaldehyde
CID 82038833
(5-formyl-2-methoxyphenoxy)boronic acid
CID 139979594
3-(3-hydroxy-4-methoxyphenyl)benzaldehyde
CID 53220736
4-(4-formyl-2-methoxyphenoxy)phosphanyloxy-3-methoxybenzaldehyde
CID 58610952
3-tert-butyl-4-methoxybenzaldehyde
CID 3774604

Frequently Asked Questions

What is the IUPAC name of CID 167405011?
The IUPAC name of CID 167405011 (CID 167405011) is not available.
What is the SMILES notation for CID 167405011?
The canonical SMILES for CID 167405011 is COc1ccc(C=O)cc1[B]O.
What is the InChIKey of CID 167405011?
The InChIKey is WUCWFPGOQHSMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BO3/c1-12-8-3-2-6(5-10)4-7(8)9-11/h2-5,11H,1H3.
What are the key properties of CID 167405011?
CID 167405011 has a molecular weight of 162.96 g/mol, XLogP of -0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 167405011 is sourced from PubChem (CID 167405011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).