2-[4-[3-tert-butyl-5-(cyclopropylmethoxy)phenyl]-2-methylbutan-2-yl]naphthalene

C29H36O — CID 139460622

IUPAC2-[4-[3-tert-butyl-5-(cyclopropylmethoxy)phenyl]-2-methylbutan-2-yl]naphthalene
SMILESCC(C)(C)c1cc(CCC(C)(C)c2ccc3ccccc3c2)cc(OCC2CC2)c1
InChIInChI=1S/C29H36O/c1-28(2,3)26-16-22(17-27(19-26)30-20-21-10-11-21)14-15-29(4,5)25-13-12-23-8-6-7-9-24(23)18-25/h6-9,12-13,16-19,21H,10-11,14-15,20H2,1-5H3
InChIKeySPCVEQSMXRZMOY-UHFFFAOYSA-N
MW400.61 g/mol
LogP7.84
Rot. Bonds7

About 2-[4-[3-tert-butyl-5-(cyclopropylmethoxy)phenyl]-2-methylbutan-2-yl]naphthalene

2-[4-[3-tert-butyl-5-(cyclopropylmethoxy)phenyl]-2-methylbutan-2-yl]naphthalene (PubChem CID 139460622) has the molecular formula C29H36O and a molecular weight of 400.61 g/mol. Its IUPAC name is 2-[4-[3-tert-butyl-5-(cyclopropylmethoxy)phenyl]-2-methylbutan-2-yl]naphthalene.

Molecular Properties

Compound Name2-[4-[3-tert-butyl-5-(cyclopropylmethoxy)phenyl]-2-methylbutan-2-yl]naphthalene
PubChem CID139460622
Molecular FormulaC29H36O
Molecular Weight400.61 g/mol
Exact Mass400.28
IUPAC Name2-[4-[3-tert-butyl-5-(cyclopropylmethoxy)phenyl]-2-methylbutan-2-yl]naphthalene
SMILESCC(C)(C)c1cc(CCC(C)(C)c2ccc3ccccc3c2)cc(OCC2CC2)c1
InChIInChI=1S/C29H36O/c1-28(2,3)26-16-22(17-27(19-26)30-20-21-10-11-21)14-15-29(4,5)25-13-12-23-8-6-7-9-24(23)18-25/h6-9,12-13,16-19,21H,10-11,14-15,20H2,1-5H3
InChIKeySPCVEQSMXRZMOY-UHFFFAOYSA-N
XLogP7.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.61
LogP ≤ 57.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-[4-[3-tert-butyl-5-(cyclopropylmethoxy)phenyl]-2-methylbutan-2-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 2-[4-[3-tert-butyl-5-(cyclopropylmethoxy)phenyl]-2-methylbutan-2-yl]naphthalene?
The IUPAC name of 2-[4-[3-tert-butyl-5-(cyclopropylmethoxy)phenyl]-2-methylbutan-2-yl]naphthalene (CID 139460622) is 2-[4-[3-tert-butyl-5-(cyclopropylmethoxy)phenyl]-2-methylbutan-2-yl]naphthalene.
What is the SMILES notation for 2-[4-[3-tert-butyl-5-(cyclopropylmethoxy)phenyl]-2-methylbutan-2-yl]naphthalene?
The canonical SMILES for 2-[4-[3-tert-butyl-5-(cyclopropylmethoxy)phenyl]-2-methylbutan-2-yl]naphthalene is CC(C)(C)c1cc(CCC(C)(C)c2ccc3ccccc3c2)cc(OCC2CC2)c1.
What is the InChIKey of 2-[4-[3-tert-butyl-5-(cyclopropylmethoxy)phenyl]-2-methylbutan-2-yl]naphthalene?
The InChIKey is SPCVEQSMXRZMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36O/c1-28(2,3)26-16-22(17-27(19-26)30-20-21-10-11-21)14-15-29(4,5)25-13-12-23-8-6-7-9-24(23)18-25/h6-9,12-13,16-19,21H,10-11,14-15,20H2,1-5H3.
What are the key properties of 2-[4-[3-tert-butyl-5-(cyclopropylmethoxy)phenyl]-2-methylbutan-2-yl]naphthalene?
2-[4-[3-tert-butyl-5-(cyclopropylmethoxy)phenyl]-2-methylbutan-2-yl]naphthalene has a molecular weight of 400.61 g/mol, XLogP of 7.84, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-tert-butyl-5-(cyclopropylmethoxy)phenyl]-2-methylbutan-2-yl]naphthalene is sourced from PubChem (CID 139460622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).