[4-[(4-chlorophenyl)methoxy]-3,5-dimethylphenyl]boronic acid;molecular hydrogen

C15H20BClO3 — CID 157399619

IUPAC[4-[(4-chlorophenyl)methoxy]-3,5-dimethylphenyl]boronic acid;molecular hydrogen
SMILESCc1cc(B(O)O)cc(C)c1OCc1ccc(Cl)cc1.[H][H].[H][H]
InChIInChI=1S/C15H16BClO3.2H2/c1-10-7-13(16(18)19)8-11(2)15(10)20-9-12-3-5-14(17)6-4-12;;/h3-8,18-19H,9H2,1-2H3;2*1H
InChIKeyBMZJQPWNPMTPOK-UHFFFAOYSA-N
MW294.59 g/mol
LogP2.71
Rot. Bonds4

About [4-[(4-chlorophenyl)methoxy]-3,5-dimethylphenyl]boronic acid;molecular hydrogen

[4-[(4-chlorophenyl)methoxy]-3,5-dimethylphenyl]boronic acid;molecular hydrogen (PubChem CID 157399619) has the molecular formula C15H20BClO3 and a molecular weight of 294.59 g/mol. Its IUPAC name is [4-[(4-chlorophenyl)methoxy]-3,5-dimethylphenyl]boronic acid;molecular hydrogen.

Molecular Properties

Compound Name[4-[(4-chlorophenyl)methoxy]-3,5-dimethylphenyl]boronic acid;molecular hydrogen
PubChem CID157399619
Molecular FormulaC15H20BClO3
Molecular Weight294.59 g/mol
Exact Mass294.12
IUPAC Name[4-[(4-chlorophenyl)methoxy]-3,5-dimethylphenyl]boronic acid;molecular hydrogen
SMILESCc1cc(B(O)O)cc(C)c1OCc1ccc(Cl)cc1.[H][H].[H][H]
InChIInChI=1S/C15H16BClO3.2H2/c1-10-7-13(16(18)19)8-11(2)15(10)20-9-12-3-5-14(17)6-4-12;;/h3-8,18-19H,9H2,1-2H3;2*1H
InChIKeyBMZJQPWNPMTPOK-UHFFFAOYSA-N
XLogP2.71
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.59
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [4-[(4-chlorophenyl)methoxy]-3,5-dimethylphenyl]boronic acid;molecular hydrogen 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

[3-[(4-chloro-2,6-dimethylphenoxy)methyl]phenyl]boronic acid
CID 63456607
[3-[(4-chloro-2,6-dimethylphenoxy)methyl]-5-fluorophenyl]boronic acid
CID 79700723
1-[4-[(4-chlorophenyl)methoxy]-3,5-dimethylphenyl]-N-methylmethanamine
CID 60878557
2-[4-[(4-chloro-2,6-dimethylphenoxy)methyl]phenyl]ethanamine
CID 105350387
(3,5-dichloro-4-phenylmethoxyphenyl)boronic acid
CID 4197353
N-[[4-[(4-chloro-2,6-dimethylphenoxy)methyl]phenyl]methyl]ethanamine
CID 63498001
[5-bromo-2-[(4-chlorophenyl)methoxy]-3-methylphenyl]methanol
CID 112621102
4-[(4-chloro-2,6-dimethylphenoxy)methyl]benzenecarbothioamide
CID 30052725
[3-methyl-4-[(4-propan-2-ylphenyl)methoxy]phenyl]boronic acid
CID 63549727
2-[(4-chlorophenyl)methoxy]-3-methylbenzonitrile
CID 107107572
5-[(4-chloro-2,6-dimethylphenoxy)methyl]-2-fluorobenzenecarbothioamide
CID 107879803
[5-[(4-chlorophenyl)methoxy]-4-methyl-3-pyridinyl]boronic acid
CID 177270243

Frequently Asked Questions

What is the IUPAC name of [4-[(4-chlorophenyl)methoxy]-3,5-dimethylphenyl]boronic acid;molecular hydrogen?
The IUPAC name of [4-[(4-chlorophenyl)methoxy]-3,5-dimethylphenyl]boronic acid;molecular hydrogen (CID 157399619) is [4-[(4-chlorophenyl)methoxy]-3,5-dimethylphenyl]boronic acid;molecular hydrogen.
What is the SMILES notation for [4-[(4-chlorophenyl)methoxy]-3,5-dimethylphenyl]boronic acid;molecular hydrogen?
The canonical SMILES for [4-[(4-chlorophenyl)methoxy]-3,5-dimethylphenyl]boronic acid;molecular hydrogen is Cc1cc(B(O)O)cc(C)c1OCc1ccc(Cl)cc1.[H][H].[H][H].
What is the InChIKey of [4-[(4-chlorophenyl)methoxy]-3,5-dimethylphenyl]boronic acid;molecular hydrogen?
The InChIKey is BMZJQPWNPMTPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BClO3.2H2/c1-10-7-13(16(18)19)8-11(2)15(10)20-9-12-3-5-14(17)6-4-12;;/h3-8,18-19H,9H2,1-2H3;2*1H.
What are the key properties of [4-[(4-chlorophenyl)methoxy]-3,5-dimethylphenyl]boronic acid;molecular hydrogen?
[4-[(4-chlorophenyl)methoxy]-3,5-dimethylphenyl]boronic acid;molecular hydrogen has a molecular weight of 294.59 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-chlorophenyl)methoxy]-3,5-dimethylphenyl]boronic acid;molecular hydrogen is sourced from PubChem (CID 157399619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).