(5-methoxy-7-methyl-4-phenylmethoxynaphthalen-1-yl)boronic acid

C19H19BO4 — CID 11088545

IUPAC(5-methoxy-7-methyl-4-phenylmethoxynaphthalen-1-yl)boronic acid
SMILESCOc1cc(C)cc2c(B(O)O)ccc(OCc3ccccc3)c12
InChIInChI=1S/C19H19BO4/c1-13-10-15-16(20(21)22)8-9-17(19(15)18(11-13)23-2)24-12-14-6-4-3-5-7-14/h3-11,21-22H,12H2,1-2H3
InChIKeyVTIKADXCRKDZCI-UHFFFAOYSA-N
MW322.17 g/mol
LogP2.42
Rot. Bonds5

About (5-methoxy-7-methyl-4-phenylmethoxynaphthalen-1-yl)boronic acid

(5-methoxy-7-methyl-4-phenylmethoxynaphthalen-1-yl)boronic acid (PubChem CID 11088545) has the molecular formula C19H19BO4 and a molecular weight of 322.17 g/mol. Its IUPAC name is (5-methoxy-7-methyl-4-phenylmethoxynaphthalen-1-yl)boronic acid.

Molecular Properties

Compound Name(5-methoxy-7-methyl-4-phenylmethoxynaphthalen-1-yl)boronic acid
PubChem CID11088545
Molecular FormulaC19H19BO4
Molecular Weight322.17 g/mol
Exact Mass322.14
IUPAC Name(5-methoxy-7-methyl-4-phenylmethoxynaphthalen-1-yl)boronic acid
SMILESCOc1cc(C)cc2c(B(O)O)ccc(OCc3ccccc3)c12
InChIInChI=1S/C19H19BO4/c1-13-10-15-16(20(21)22)8-9-17(19(15)18(11-13)23-2)24-12-14-6-4-3-5-7-14/h3-11,21-22H,12H2,1-2H3
InChIKeyVTIKADXCRKDZCI-UHFFFAOYSA-N
XLogP2.42
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.17
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5-methoxy-7-methyl-4-phenylmethoxynaphthalen-1-yl)boronic acid 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

5-bromo-1-methoxy-3-methyl-8-phenylmethoxynaphthalene
CID 11035690
[3-(3-borono-6-methoxy-2-phenylmethoxyphenyl)-4-methoxy-2-phenylmethoxyphenyl]boronic acid
CID 132839010
(2-methoxy-5-phenylmethoxyphenyl)boronic acid
CID 75537210
2,5,8-trimethoxy-1-phenylmethoxynaphthalene
CID 132576199
4,5-dimethoxy-6-phenylmethoxynaphthalen-1-ol
CID 13468257
(5-fluoro-3-methoxy-2-phenylmethoxyphenyl)boronic acid
CID 164896021
N-[(2R)-1-[3,5-dimethoxy-2-(5-methoxy-7-methyl-4-phenylmethoxynaphthalen-1-yl)phenyl]propan-2-yl]acetamide
CID 11730950
(2,4-dimethyl-5-phenylmethoxyphenyl)boronic acid
CID 164892116
(S)-(3-methoxy-4-phenylmethoxyphenyl)-(4-methylphenyl)methanol
CID 129384165
carbon monoxide;chromium;2-(5-methoxy-7-methyl-4-phenylmethoxynaphthalen-1-yl)-3,5-di(propan-2-yloxy)benzaldehyde
CID 11377165
(1-phenylmethoxynaphthalen-2-yl)boronic acid
CID 10755032
12-methoxy-8-methyl-1-phenylmethoxynaphtho[1,2-c]isochromen-6-one
CID 134102350

Frequently Asked Questions

What is the IUPAC name of (5-methoxy-7-methyl-4-phenylmethoxynaphthalen-1-yl)boronic acid?
The IUPAC name of (5-methoxy-7-methyl-4-phenylmethoxynaphthalen-1-yl)boronic acid (CID 11088545) is (5-methoxy-7-methyl-4-phenylmethoxynaphthalen-1-yl)boronic acid.
What is the SMILES notation for (5-methoxy-7-methyl-4-phenylmethoxynaphthalen-1-yl)boronic acid?
The canonical SMILES for (5-methoxy-7-methyl-4-phenylmethoxynaphthalen-1-yl)boronic acid is COc1cc(C)cc2c(B(O)O)ccc(OCc3ccccc3)c12.
What is the InChIKey of (5-methoxy-7-methyl-4-phenylmethoxynaphthalen-1-yl)boronic acid?
The InChIKey is VTIKADXCRKDZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BO4/c1-13-10-15-16(20(21)22)8-9-17(19(15)18(11-13)23-2)24-12-14-6-4-3-5-7-14/h3-11,21-22H,12H2,1-2H3.
What are the key properties of (5-methoxy-7-methyl-4-phenylmethoxynaphthalen-1-yl)boronic acid?
(5-methoxy-7-methyl-4-phenylmethoxynaphthalen-1-yl)boronic acid has a molecular weight of 322.17 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-7-methyl-4-phenylmethoxynaphthalen-1-yl)boronic acid is sourced from PubChem (CID 11088545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).