2-[4-methoxy-3-(naphthalen-1-ylmethyl)phenyl]-4,5,5-trimethyl-1,3,4,2-dioxazaborolidine

C22H24BNO3 — CID 142932950

IUPAC2-[4-methoxy-3-(naphthalen-1-ylmethyl)phenyl]-4,5,5-trimethyl-1,3,4,2-dioxazaborolidine
SMILESCOc1ccc(B2ON(C)C(C)(C)O2)cc1Cc1cccc2ccccc12
InChIInChI=1S/C22H24BNO3/c1-22(2)24(3)27-23(26-22)19-12-13-21(25-4)18(15-19)14-17-10-7-9-16-8-5-6-11-20(16)17/h5-13,15H,14H2,1-4H3
InChIKeyYUVBFOLMNXCPJD-UHFFFAOYSA-N
MW361.25 g/mol
LogP3.76
Rot. Bonds4

About 2-[4-methoxy-3-(naphthalen-1-ylmethyl)phenyl]-4,5,5-trimethyl-1,3,4,2-dioxazaborolidine

2-[4-methoxy-3-(naphthalen-1-ylmethyl)phenyl]-4,5,5-trimethyl-1,3,4,2-dioxazaborolidine (PubChem CID 142932950) has the molecular formula C22H24BNO3 and a molecular weight of 361.25 g/mol. Its IUPAC name is 2-[4-methoxy-3-(naphthalen-1-ylmethyl)phenyl]-4,5,5-trimethyl-1,3,4,2-dioxazaborolidine.

Molecular Properties

Compound Name2-[4-methoxy-3-(naphthalen-1-ylmethyl)phenyl]-4,5,5-trimethyl-1,3,4,2-dioxazaborolidine
PubChem CID142932950
Molecular FormulaC22H24BNO3
Molecular Weight361.25 g/mol
Exact Mass361.18
IUPAC Name2-[4-methoxy-3-(naphthalen-1-ylmethyl)phenyl]-4,5,5-trimethyl-1,3,4,2-dioxazaborolidine
SMILESCOc1ccc(B2ON(C)C(C)(C)O2)cc1Cc1cccc2ccccc12
InChIInChI=1S/C22H24BNO3/c1-22(2)24(3)27-23(26-22)19-12-13-21(25-4)18(15-19)14-17-10-7-9-16-8-5-6-11-20(16)17/h5-13,15H,14H2,1-4H3
InChIKeyYUVBFOLMNXCPJD-UHFFFAOYSA-N
XLogP3.76
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.25
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[4-methoxy-3-(naphthalen-1-ylmethyl)phenyl]-4,5,5-trimethyl-1,3,4,2-dioxazaborolidine 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

[2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl hypofluorite
CID 145420344
CID 66760372
CID 66760372
2-(2,5-dimethoxyphenyl)-N-(naphthalen-1-ylmethyl)acetamide
CID 78851833
1-[(5-bromo-2-methoxyphenyl)methyl]-4-(naphthalen-1-ylmethyl)piperazine
CID 4085464
4,4,5,5-tetramethyl-2-(8-naphthalen-1-ylnaphthalen-2-yl)-1,3,2-dioxaborolane
CID 176598706
3,4-dimethoxy-N-(naphthalen-1-ylmethyl)aniline
CID 23769843
2-[(2-methoxyphenyl)methyl]naphthalen-1-ol
CID 15617840
6,7-dimethoxy-4-(naphthalen-1-ylmethyl)-1,2-dihydronaphthalene
CID 58612282
2-methoxy-1-[[2-methoxy-3-[(4-methoxynaphthalen-1-yl)methyl]naphthalen-1-yl]methyl]-3-[(4-methoxynaphthalen-1-yl)methyl]naphthalene
CID 15852632
2-[(2-methoxyphenyl)methyl]-1-benzofuran
CID 21435281
9-methyl-4-(naphthalen-1-ylmethyl)pyrido[3,4-b]indole
CID 146445430
trimethyl-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]methyl]azanium
CID 177480059

Frequently Asked Questions

What is the IUPAC name of 2-[4-methoxy-3-(naphthalen-1-ylmethyl)phenyl]-4,5,5-trimethyl-1,3,4,2-dioxazaborolidine?
The IUPAC name of 2-[4-methoxy-3-(naphthalen-1-ylmethyl)phenyl]-4,5,5-trimethyl-1,3,4,2-dioxazaborolidine (CID 142932950) is 2-[4-methoxy-3-(naphthalen-1-ylmethyl)phenyl]-4,5,5-trimethyl-1,3,4,2-dioxazaborolidine.
What is the SMILES notation for 2-[4-methoxy-3-(naphthalen-1-ylmethyl)phenyl]-4,5,5-trimethyl-1,3,4,2-dioxazaborolidine?
The canonical SMILES for 2-[4-methoxy-3-(naphthalen-1-ylmethyl)phenyl]-4,5,5-trimethyl-1,3,4,2-dioxazaborolidine is COc1ccc(B2ON(C)C(C)(C)O2)cc1Cc1cccc2ccccc12.
What is the InChIKey of 2-[4-methoxy-3-(naphthalen-1-ylmethyl)phenyl]-4,5,5-trimethyl-1,3,4,2-dioxazaborolidine?
The InChIKey is YUVBFOLMNXCPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24BNO3/c1-22(2)24(3)27-23(26-22)19-12-13-21(25-4)18(15-19)14-17-10-7-9-16-8-5-6-11-20(16)17/h5-13,15H,14H2,1-4H3.
What are the key properties of 2-[4-methoxy-3-(naphthalen-1-ylmethyl)phenyl]-4,5,5-trimethyl-1,3,4,2-dioxazaborolidine?
2-[4-methoxy-3-(naphthalen-1-ylmethyl)phenyl]-4,5,5-trimethyl-1,3,4,2-dioxazaborolidine has a molecular weight of 361.25 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methoxy-3-(naphthalen-1-ylmethyl)phenyl]-4,5,5-trimethyl-1,3,4,2-dioxazaborolidine is sourced from PubChem (CID 142932950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).