4-methyl-1,2,3,4,4a,10-hexahydroanthracene

C15H18 — CID 150384285

IUPAC4-methyl-1,2,3,4,4a,10-hexahydroanthracene
SMILESCC1CCCC2=Cc3ccccc3CC21
InChIInChI=1S/C15H18/c1-11-5-4-8-14-9-12-6-2-3-7-13(12)10-15(11)14/h2-3,6-7,9,11,15H,4-5,8,10H2,1H3
InChIKeyHAJHZLAMLUTPQP-UHFFFAOYSA-N
MW198.31 g/mol
LogP4.06
Rot. Bonds

About 4-methyl-1,2,3,4,4a,10-hexahydroanthracene

4-methyl-1,2,3,4,4a,10-hexahydroanthracene (PubChem CID 150384285) has the molecular formula C15H18 and a molecular weight of 198.31 g/mol. Its IUPAC name is 4-methyl-1,2,3,4,4a,10-hexahydroanthracene.

Molecular Properties

Compound Name4-methyl-1,2,3,4,4a,10-hexahydroanthracene
PubChem CID150384285
Molecular FormulaC15H18
Molecular Weight198.31 g/mol
Exact Mass198.14
IUPAC Name4-methyl-1,2,3,4,4a,10-hexahydroanthracene
SMILESCC1CCCC2=Cc3ccccc3CC21
InChIInChI=1S/C15H18/c1-11-5-4-8-14-9-12-6-2-3-7-13(12)10-15(11)14/h2-3,6-7,9,11,15H,4-5,8,10H2,1H3
InChIKeyHAJHZLAMLUTPQP-UHFFFAOYSA-N
XLogP4.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,2,3,4,4a,10-hexahydroanthracene?
The IUPAC name of 4-methyl-1,2,3,4,4a,10-hexahydroanthracene (CID 150384285) is 4-methyl-1,2,3,4,4a,10-hexahydroanthracene.
What is the SMILES notation for 4-methyl-1,2,3,4,4a,10-hexahydroanthracene?
The canonical SMILES for 4-methyl-1,2,3,4,4a,10-hexahydroanthracene is CC1CCCC2=Cc3ccccc3CC21.
What is the InChIKey of 4-methyl-1,2,3,4,4a,10-hexahydroanthracene?
The InChIKey is HAJHZLAMLUTPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18/c1-11-5-4-8-14-9-12-6-2-3-7-13(12)10-15(11)14/h2-3,6-7,9,11,15H,4-5,8,10H2,1H3.
What are the key properties of 4-methyl-1,2,3,4,4a,10-hexahydroanthracene?
4-methyl-1,2,3,4,4a,10-hexahydroanthracene has a molecular weight of 198.31 g/mol, XLogP of 4.06, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,2,3,4,4a,10-hexahydroanthracene is sourced from PubChem (CID 150384285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).