2,7-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene

C16H22 — CID 21032882

IUPAC2,7-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene
SMILESCc1ccc2c(c1)CCC1CC(C)CCC21
InChIInChI=1S/C16H22/c1-11-3-7-15-13(9-11)5-6-14-10-12(2)4-8-16(14)15/h3,7,9,12,14,16H,4-6,8,10H2,1-2H3
InChIKeyJQVRQKVJVCOITR-UHFFFAOYSA-N
MW214.35 g/mol
LogP4.46
Rot. Bonds

About 2,7-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene

2,7-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene (PubChem CID 21032882) has the molecular formula C16H22 and a molecular weight of 214.35 g/mol. Its IUPAC name is 2,7-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene.

Molecular Properties

Compound Name2,7-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene
PubChem CID21032882
Molecular FormulaC16H22
Molecular Weight214.35 g/mol
Exact Mass214.17
IUPAC Name2,7-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene
SMILESCc1ccc2c(c1)CCC1CC(C)CCC21
InChIInChI=1S/C16H22/c1-11-3-7-15-13(9-11)5-6-14-10-12(2)4-8-16(14)15/h3,7,9,12,14,16H,4-6,8,10H2,1-2H3
InChIKeyJQVRQKVJVCOITR-UHFFFAOYSA-N
XLogP4.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2,7-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,9-dimethyl-6,6a,11,11a-tetrahydro-5H-benzo[a]fluorene;tetrakis(1,4-xylene)
CID 143462508
1-(2,4-dimethylcyclohexyl)-2,4-dimethylbenzene
CID 23529825
2,7-dimethyl-1,2,3,4-tetrahydronaphthalene;ethane
CID 145046662
(1S,2S)-1,6-dimethyl-2-phenyl-1,2,3,4-tetrahydronaphthalene
CID 170728886
1,2,3,4,4a,9,10,10a-octahydrophenanthrene-2,7-diol
CID 146232812
(4aS,10bS)-8-methyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-3-one
CID 54374837
N,2,6-trimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 83907257
ethane;5-methyl-2,3-dihydro-1H-inden-1-amine;1,3-xylene
CID 162687970
1-deuterio-4,8-dimethyl-1,2,4a,5,6,10b-hexahydrobenzo[f]quinolin-3-one
CID 142637647
2-(2,4-dimethylphenyl)-4-methylcyclohexane-1-carboxylic acid
CID 81020459
1-fluoro-6-methyl-1,2,3,4-tetrahydronaphthalene
CID 84717004
ethane;methylcyclopropane;1,3-xylene
CID 142338532

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene?
The IUPAC name of 2,7-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene (CID 21032882) is 2,7-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene.
What is the SMILES notation for 2,7-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene?
The canonical SMILES for 2,7-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene is Cc1ccc2c(c1)CCC1CC(C)CCC21.
What is the InChIKey of 2,7-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene?
The InChIKey is JQVRQKVJVCOITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22/c1-11-3-7-15-13(9-11)5-6-14-10-12(2)4-8-16(14)15/h3,7,9,12,14,16H,4-6,8,10H2,1-2H3.
What are the key properties of 2,7-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene?
2,7-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene has a molecular weight of 214.35 g/mol, XLogP of 4.46, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene is sourced from PubChem (CID 21032882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).