9-methyl-1,2,2a,10b-tetrahydrocyclobuta[l]phenanthrene

C17H16 — CID 144612902

IUPAC9-methyl-1,2,2a,10b-tetrahydrocyclobuta[l]phenanthrene
SMILESCc1ccc2c(c1)C1CCC1c1ccccc1-2
InChIInChI=1S/C17H16/c1-11-6-7-15-13-5-3-2-4-12(13)14-8-9-16(14)17(15)10-11/h2-7,10,14,16H,8-9H2,1H3
InChIKeyIWHKWJZAGDETPM-UHFFFAOYSA-N
MW220.31 g/mol
LogP4.64
Rot. Bonds

About 9-methyl-1,2,2a,10b-tetrahydrocyclobuta[l]phenanthrene

9-methyl-1,2,2a,10b-tetrahydrocyclobuta[l]phenanthrene (PubChem CID 144612902) has the molecular formula C17H16 and a molecular weight of 220.31 g/mol. Its IUPAC name is 9-methyl-1,2,2a,10b-tetrahydrocyclobuta[l]phenanthrene.

Molecular Properties

Compound Name9-methyl-1,2,2a,10b-tetrahydrocyclobuta[l]phenanthrene
PubChem CID144612902
Molecular FormulaC17H16
Molecular Weight220.31 g/mol
Exact Mass220.13
IUPAC Name9-methyl-1,2,2a,10b-tetrahydrocyclobuta[l]phenanthrene
SMILESCc1ccc2c(c1)C1CCC1c1ccccc1-2
InChIInChI=1S/C17H16/c1-11-6-7-15-13-5-3-2-4-12(13)14-8-9-16(14)17(15)10-11/h2-7,10,14,16H,8-9H2,1H3
InChIKeyIWHKWJZAGDETPM-UHFFFAOYSA-N
XLogP4.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-methyl-9-[2-(2-methyl-9H-fluoren-9-yl)ethyl]-9H-fluorene
CID 15494405
9-(2,5-dimethylphenyl)-9H-fluorene
CID 10730779
2-(2-methyl-9H-fluoren-9-yl)ethanamine
CID 82579060
9-[2-(9H-fluoren-9-yl)-4-methylphenyl]-9H-fluorene
CID 174712275
(5S)-tricyclo[4.4.0.02,5]deca-1(10),6,8-triene
CID 68882978
methyl 2-methyl-9H-fluorene-9-carboxylate
CID 139254055
ethane;9-ethyl-2,7-dimethyl-9H-fluorene;methane
CID 145053963
[10-(hydroxymethyl)-3-methyl-9,10-dihydroanthracen-9-yl]methanol
CID 3498568
9-ethenyl-2,7-dimethyl-9H-fluorene
CID 22619298
8-methyl-6-phenyl-6H-benzo[c]chromene
CID 90278645
2-(2-cyclobutylphenyl)-4-methylbenzoic acid
CID 114605088
1-[(1R,2S)-2-methylcyclobutyl]-2-phenylbenzene
CID 162408890

Frequently Asked Questions

What is the IUPAC name of 9-methyl-1,2,2a,10b-tetrahydrocyclobuta[l]phenanthrene?
The IUPAC name of 9-methyl-1,2,2a,10b-tetrahydrocyclobuta[l]phenanthrene (CID 144612902) is 9-methyl-1,2,2a,10b-tetrahydrocyclobuta[l]phenanthrene.
What is the SMILES notation for 9-methyl-1,2,2a,10b-tetrahydrocyclobuta[l]phenanthrene?
The canonical SMILES for 9-methyl-1,2,2a,10b-tetrahydrocyclobuta[l]phenanthrene is Cc1ccc2c(c1)C1CCC1c1ccccc1-2.
What is the InChIKey of 9-methyl-1,2,2a,10b-tetrahydrocyclobuta[l]phenanthrene?
The InChIKey is IWHKWJZAGDETPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16/c1-11-6-7-15-13-5-3-2-4-12(13)14-8-9-16(14)17(15)10-11/h2-7,10,14,16H,8-9H2,1H3.
What are the key properties of 9-methyl-1,2,2a,10b-tetrahydrocyclobuta[l]phenanthrene?
9-methyl-1,2,2a,10b-tetrahydrocyclobuta[l]phenanthrene has a molecular weight of 220.31 g/mol, XLogP of 4.64, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-1,2,2a,10b-tetrahydrocyclobuta[l]phenanthrene is sourced from PubChem (CID 144612902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).