3-tert-butyl-1,2,3,4-tetrahydrophenanthrene

C18H22 — CID 169291663

IUPAC3-tert-butyl-1,2,3,4-tetrahydrophenanthrene
SMILESCC(C)(C)C1CCc2ccc3ccccc3c2C1
InChIInChI=1S/C18H22/c1-18(2,3)15-11-10-14-9-8-13-6-4-5-7-16(13)17(14)12-15/h4-9,15H,10-12H2,1-3H3
InChIKeyUUPSOUSSHUVLSK-UHFFFAOYSA-N
MW238.37 g/mol
LogP4.99
Rot. Bonds

About 3-tert-butyl-1,2,3,4-tetrahydrophenanthrene

3-tert-butyl-1,2,3,4-tetrahydrophenanthrene (PubChem CID 169291663) has the molecular formula C18H22 and a molecular weight of 238.37 g/mol. Its IUPAC name is 3-tert-butyl-1,2,3,4-tetrahydrophenanthrene.

Molecular Properties

Compound Name3-tert-butyl-1,2,3,4-tetrahydrophenanthrene
PubChem CID169291663
Molecular FormulaC18H22
Molecular Weight238.37 g/mol
Exact Mass238.17
IUPAC Name3-tert-butyl-1,2,3,4-tetrahydrophenanthrene
SMILESCC(C)(C)C1CCc2ccc3ccccc3c2C1
InChIInChI=1S/C18H22/c1-18(2,3)15-11-10-14-9-8-13-6-4-5-7-16(13)17(14)12-15/h4-9,15H,10-12H2,1-3H3
InChIKeyUUPSOUSSHUVLSK-UHFFFAOYSA-N
XLogP4.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3-tert-butyl-1,2,3,4-tetrahydrophenanthrene 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-tert-butyl-1,2,3,4-tetrahydrophenanthrene?
The IUPAC name of 3-tert-butyl-1,2,3,4-tetrahydrophenanthrene (CID 169291663) is 3-tert-butyl-1,2,3,4-tetrahydrophenanthrene.
What is the SMILES notation for 3-tert-butyl-1,2,3,4-tetrahydrophenanthrene?
The canonical SMILES for 3-tert-butyl-1,2,3,4-tetrahydrophenanthrene is CC(C)(C)C1CCc2ccc3ccccc3c2C1.
What is the InChIKey of 3-tert-butyl-1,2,3,4-tetrahydrophenanthrene?
The InChIKey is UUPSOUSSHUVLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22/c1-18(2,3)15-11-10-14-9-8-13-6-4-5-7-16(13)17(14)12-15/h4-9,15H,10-12H2,1-3H3.
What are the key properties of 3-tert-butyl-1,2,3,4-tetrahydrophenanthrene?
3-tert-butyl-1,2,3,4-tetrahydrophenanthrene has a molecular weight of 238.37 g/mol, XLogP of 4.99, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1,2,3,4-tetrahydrophenanthrene is sourced from PubChem (CID 169291663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).