3-methyl-2-[(2-methylpropan-2-yl)oxy]-1-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)naphthalene

C26H30O — CID 71127700

IUPAC3-methyl-2-[(2-methylpropan-2-yl)oxy]-1-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)naphthalene
SMILESCc1cc2ccccc2c(-c2c(C)ccc3c2CCCC3)c1OC(C)(C)C
InChIInChI=1S/C26H30O/c1-17-14-15-19-10-6-8-12-21(19)23(17)24-22-13-9-7-11-20(22)16-18(2)25(24)27-26(3,4)5/h7,9,11,13-16H,6,8,10,12H2,1-5H3
InChIKeyWLFBMEVWXQZHSS-UHFFFAOYSA-N
MW358.53 g/mol
LogP7.18
Rot. Bonds2

About 3-methyl-2-[(2-methylpropan-2-yl)oxy]-1-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)naphthalene

3-methyl-2-[(2-methylpropan-2-yl)oxy]-1-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)naphthalene (PubChem CID 71127700) has the molecular formula C26H30O and a molecular weight of 358.53 g/mol. Its IUPAC name is 3-methyl-2-[(2-methylpropan-2-yl)oxy]-1-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)naphthalene.

Molecular Properties

Compound Name3-methyl-2-[(2-methylpropan-2-yl)oxy]-1-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)naphthalene
PubChem CID71127700
Molecular FormulaC26H30O
Molecular Weight358.53 g/mol
Exact Mass358.23
IUPAC Name3-methyl-2-[(2-methylpropan-2-yl)oxy]-1-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)naphthalene
SMILESCc1cc2ccccc2c(-c2c(C)ccc3c2CCCC3)c1OC(C)(C)C
InChIInChI=1S/C26H30O/c1-17-14-15-19-10-6-8-12-21(19)23(17)24-22-13-9-7-11-20(22)16-18(2)25(24)27-26(3,4)5/h7,9,11,13-16H,6,8,10,12H2,1-5H3
InChIKeyWLFBMEVWXQZHSS-UHFFFAOYSA-N
XLogP7.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.53
LogP ≤ 57.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-methyl-2-[(2-methylpropan-2-yl)oxy]-1-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)naphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(2-methylpropan-2-yl)oxy]-1-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)naphthalene?
The IUPAC name of 3-methyl-2-[(2-methylpropan-2-yl)oxy]-1-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)naphthalene (CID 71127700) is 3-methyl-2-[(2-methylpropan-2-yl)oxy]-1-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)naphthalene.
What is the SMILES notation for 3-methyl-2-[(2-methylpropan-2-yl)oxy]-1-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)naphthalene?
The canonical SMILES for 3-methyl-2-[(2-methylpropan-2-yl)oxy]-1-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)naphthalene is Cc1cc2ccccc2c(-c2c(C)ccc3c2CCCC3)c1OC(C)(C)C.
What is the InChIKey of 3-methyl-2-[(2-methylpropan-2-yl)oxy]-1-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)naphthalene?
The InChIKey is WLFBMEVWXQZHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30O/c1-17-14-15-19-10-6-8-12-21(19)23(17)24-22-13-9-7-11-20(22)16-18(2)25(24)27-26(3,4)5/h7,9,11,13-16H,6,8,10,12H2,1-5H3.
What are the key properties of 3-methyl-2-[(2-methylpropan-2-yl)oxy]-1-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)naphthalene?
3-methyl-2-[(2-methylpropan-2-yl)oxy]-1-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)naphthalene has a molecular weight of 358.53 g/mol, XLogP of 7.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(2-methylpropan-2-yl)oxy]-1-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)naphthalene is sourced from PubChem (CID 71127700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).