9-tert-butyl-10-methyl-1,2,3,4-tetrahydrophenanthrene

C19H24 — CID 10634606

IUPAC9-tert-butyl-10-methyl-1,2,3,4-tetrahydrophenanthrene
SMILESCc1c2c(c3ccccc3c1C(C)(C)C)CCCC2
InChIInChI=1S/C19H24/c1-13-14-9-5-6-10-15(14)16-11-7-8-12-17(16)18(13)19(2,3)4/h7-8,11-12H,5-6,9-10H2,1-4H3
InChIKeyGXMBDXPZUGOQIJ-UHFFFAOYSA-N
MW252.40 g/mol
LogP5.32
Rot. Bonds

About 9-tert-butyl-10-methyl-1,2,3,4-tetrahydrophenanthrene

9-tert-butyl-10-methyl-1,2,3,4-tetrahydrophenanthrene (PubChem CID 10634606) has the molecular formula C19H24 and a molecular weight of 252.40 g/mol. Its IUPAC name is 9-tert-butyl-10-methyl-1,2,3,4-tetrahydrophenanthrene.

Molecular Properties

Compound Name9-tert-butyl-10-methyl-1,2,3,4-tetrahydrophenanthrene
PubChem CID10634606
Molecular FormulaC19H24
Molecular Weight252.40 g/mol
Exact Mass252.19
IUPAC Name9-tert-butyl-10-methyl-1,2,3,4-tetrahydrophenanthrene
SMILESCc1c2c(c3ccccc3c1C(C)(C)C)CCCC2
InChIInChI=1S/C19H24/c1-13-14-9-5-6-10-15(14)16-11-7-8-12-17(16)18(13)19(2,3)4/h7-8,11-12H,5-6,9-10H2,1-4H3
InChIKeyGXMBDXPZUGOQIJ-UHFFFAOYSA-N
XLogP5.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.40
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 9-tert-butyl-10-methyl-1,2,3,4-tetrahydrophenanthrene?
The IUPAC name of 9-tert-butyl-10-methyl-1,2,3,4-tetrahydrophenanthrene (CID 10634606) is 9-tert-butyl-10-methyl-1,2,3,4-tetrahydrophenanthrene.
What is the SMILES notation for 9-tert-butyl-10-methyl-1,2,3,4-tetrahydrophenanthrene?
The canonical SMILES for 9-tert-butyl-10-methyl-1,2,3,4-tetrahydrophenanthrene is Cc1c2c(c3ccccc3c1C(C)(C)C)CCCC2.
What is the InChIKey of 9-tert-butyl-10-methyl-1,2,3,4-tetrahydrophenanthrene?
The InChIKey is GXMBDXPZUGOQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24/c1-13-14-9-5-6-10-15(14)16-11-7-8-12-17(16)18(13)19(2,3)4/h7-8,11-12H,5-6,9-10H2,1-4H3.
What are the key properties of 9-tert-butyl-10-methyl-1,2,3,4-tetrahydrophenanthrene?
9-tert-butyl-10-methyl-1,2,3,4-tetrahydrophenanthrene has a molecular weight of 252.40 g/mol, XLogP of 5.32, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-tert-butyl-10-methyl-1,2,3,4-tetrahydrophenanthrene is sourced from PubChem (CID 10634606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).