2-tert-butyl-7-phenylmethoxynaphthalene

C21H22O — CID 146249475

IUPAC2-tert-butyl-7-phenylmethoxynaphthalene
SMILESCC(C)(C)c1ccc2ccc(OCc3ccccc3)cc2c1
InChIInChI=1S/C21H22O/c1-21(2,3)19-11-9-17-10-12-20(14-18(17)13-19)22-15-16-7-5-4-6-8-16/h4-14H,15H2,1-3H3
InChIKeyXNPBIKJTVMOZKM-UHFFFAOYSA-N
MW290.41 g/mol
LogP5.72
Rot. Bonds3

About 2-tert-butyl-7-phenylmethoxynaphthalene

2-tert-butyl-7-phenylmethoxynaphthalene (PubChem CID 146249475) has the molecular formula C21H22O and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-tert-butyl-7-phenylmethoxynaphthalene.

Molecular Properties

Compound Name2-tert-butyl-7-phenylmethoxynaphthalene
PubChem CID146249475
Molecular FormulaC21H22O
Molecular Weight290.41 g/mol
Exact Mass290.17
IUPAC Name2-tert-butyl-7-phenylmethoxynaphthalene
SMILESCC(C)(C)c1ccc2ccc(OCc3ccccc3)cc2c1
InChIInChI=1S/C21H22O/c1-21(2,3)19-11-9-17-10-12-20(14-18(17)13-19)22-15-16-7-5-4-6-8-16/h4-14H,15H2,1-3H3
InChIKeyXNPBIKJTVMOZKM-UHFFFAOYSA-N
XLogP5.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.41
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-tert-butyl-7-phenylmethoxynaphthalene 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-methyl-7-phenylmethoxynaphthalene
CID 90146760
7-phenylmethoxynaphthalene-2-carboxylic acid
CID 22243430
2-bromo-6-phenylmethoxynaphthalene
CID 640595
2-tert-butyl-6-phenylmethoxyquinoline
CID 20709519
2-chloro-6-phenylmethoxynaphthalene
CID 125116795
1-tert-butyl-3-[(4-phenylphenyl)methoxy]benzene
CID 59734480
6-methylnaphthalen-2-ol;2-methyl-6-phenylmethoxynaphthalene
CID 158113747
6-phenylmethoxyisoquinolin-3-amine
CID 71742578
2-methyl-6-phenylmethoxyquinoline
CID 82580854
1-methyl-4-[(7-phenylmethoxynaphthalen-2-yl)methyl]piperazine
CID 138106389
2-bromo-4-tert-butyl-1-phenylmethoxybenzene
CID 15152030
4-tert-butyl-2-phenylmethoxyphenol
CID 18795860

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-7-phenylmethoxynaphthalene?
The IUPAC name of 2-tert-butyl-7-phenylmethoxynaphthalene (CID 146249475) is 2-tert-butyl-7-phenylmethoxynaphthalene.
What is the SMILES notation for 2-tert-butyl-7-phenylmethoxynaphthalene?
The canonical SMILES for 2-tert-butyl-7-phenylmethoxynaphthalene is CC(C)(C)c1ccc2ccc(OCc3ccccc3)cc2c1.
What is the InChIKey of 2-tert-butyl-7-phenylmethoxynaphthalene?
The InChIKey is XNPBIKJTVMOZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22O/c1-21(2,3)19-11-9-17-10-12-20(14-18(17)13-19)22-15-16-7-5-4-6-8-16/h4-14H,15H2,1-3H3.
What are the key properties of 2-tert-butyl-7-phenylmethoxynaphthalene?
2-tert-butyl-7-phenylmethoxynaphthalene has a molecular weight of 290.41 g/mol, XLogP of 5.72, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-7-phenylmethoxynaphthalene is sourced from PubChem (CID 146249475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).