2,7-dimethyl-4a,9-dihydrophenanthrene

C16H16 — CID 140786855

IUPAC2,7-dimethyl-4a,9-dihydrophenanthrene
SMILESCC1=CC2=CCc3cc(C)ccc3C2C=C1
InChIInChI=1S/C16H16/c1-11-3-7-15-13(9-11)5-6-14-10-12(2)4-8-16(14)15/h3-5,7-10,15H,6H2,1-2H3
InChIKeyPEGARKFUXASHSG-UHFFFAOYSA-N
MW208.30 g/mol
LogP4.08
Rot. Bonds

About 2,7-dimethyl-4a,9-dihydrophenanthrene

2,7-dimethyl-4a,9-dihydrophenanthrene (PubChem CID 140786855) has the molecular formula C16H16 and a molecular weight of 208.30 g/mol. Its IUPAC name is 2,7-dimethyl-4a,9-dihydrophenanthrene.

Molecular Properties

Compound Name2,7-dimethyl-4a,9-dihydrophenanthrene
PubChem CID140786855
Molecular FormulaC16H16
Molecular Weight208.30 g/mol
Exact Mass208.13
IUPAC Name2,7-dimethyl-4a,9-dihydrophenanthrene
SMILESCC1=CC2=CCc3cc(C)ccc3C2C=C1
InChIInChI=1S/C16H16/c1-11-3-7-15-13(9-11)5-6-14-10-12(2)4-8-16(14)15/h3-5,7-10,15H,6H2,1-2H3
InChIKeyPEGARKFUXASHSG-UHFFFAOYSA-N
XLogP4.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2,7-dimethyl-4a,9-dihydrophenanthrene 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-methylbicyclo[4.2.0]octa-1(6),2,4-trien-7-amine
CID 105427752
3,9-dimethyl-12,12a-dihydrobenzo[a]anthracene
CID 5051862
(3-methyl-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)methanol
CID 105429222
2,7-dimethyl-1,2-dihydronaphthalene;ethane
CID 142943759
3-methylbicyclo[4.2.0]octa-1(6),2,4-triene-7-carboxylic acid
CID 105431846
2,7-dimethyl-4a,9a-dihydrofluoren-9-one;ethane
CID 54226559
3,9-dimethyl-6,6a,11,11a-tetrahydro-5H-benzo[a]fluorene;tetrakis(1,4-xylene)
CID 143462508
3,7-dimethyl-1,2-dihydronaphthalene;ethane;methane
CID 144671945
2,7-dimethyl-1,2,3,4-tetrahydronaphthalene;ethane
CID 145046662
(10-acetyloxy-6,14-dimethyl-2-tricyclo[10.4.0.04,9]hexadeca-1(12),4(9),5,7,13,15-hexaenyl) acetate
CID 4055527
3-cyclohexyl-6-methyl-1H-indene
CID 123321987
6-methoxy-2-methyl-9H-benzo[7]annulene
CID 118474873

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-4a,9-dihydrophenanthrene?
The IUPAC name of 2,7-dimethyl-4a,9-dihydrophenanthrene (CID 140786855) is 2,7-dimethyl-4a,9-dihydrophenanthrene.
What is the SMILES notation for 2,7-dimethyl-4a,9-dihydrophenanthrene?
The canonical SMILES for 2,7-dimethyl-4a,9-dihydrophenanthrene is CC1=CC2=CCc3cc(C)ccc3C2C=C1.
What is the InChIKey of 2,7-dimethyl-4a,9-dihydrophenanthrene?
The InChIKey is PEGARKFUXASHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16/c1-11-3-7-15-13(9-11)5-6-14-10-12(2)4-8-16(14)15/h3-5,7-10,15H,6H2,1-2H3.
What are the key properties of 2,7-dimethyl-4a,9-dihydrophenanthrene?
2,7-dimethyl-4a,9-dihydrophenanthrene has a molecular weight of 208.30 g/mol, XLogP of 4.08, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-4a,9-dihydrophenanthrene is sourced from PubChem (CID 140786855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).