2,7-dimethyl-1,2,5,6-tetrahydrophenanthrene

C16H18 — CID 143534934

IUPAC2,7-dimethyl-1,2,5,6-tetrahydrophenanthrene
SMILESCC1=Cc2ccc3c(c2CC1)C=CC(C)C3
InChIInChI=1S/C16H18/c1-11-3-7-15-13(9-11)5-6-14-10-12(2)4-8-16(14)15/h3,5-7,10-11H,4,8-9H2,1-2H3
InChIKeyFKXGLNADNIERBG-UHFFFAOYSA-N
MW210.32 g/mol
LogP4.24
Rot. Bonds

About 2,7-dimethyl-1,2,5,6-tetrahydrophenanthrene

2,7-dimethyl-1,2,5,6-tetrahydrophenanthrene (PubChem CID 143534934) has the molecular formula C16H18 and a molecular weight of 210.32 g/mol. Its IUPAC name is 2,7-dimethyl-1,2,5,6-tetrahydrophenanthrene.

Molecular Properties

Compound Name2,7-dimethyl-1,2,5,6-tetrahydrophenanthrene
PubChem CID143534934
Molecular FormulaC16H18
Molecular Weight210.32 g/mol
Exact Mass210.14
IUPAC Name2,7-dimethyl-1,2,5,6-tetrahydrophenanthrene
SMILESCC1=Cc2ccc3c(c2CC1)C=CC(C)C3
InChIInChI=1S/C16H18/c1-11-3-7-15-13(9-11)5-6-14-10-12(2)4-8-16(14)15/h3,5-7,10-11H,4,8-9H2,1-2H3
InChIKeyFKXGLNADNIERBG-UHFFFAOYSA-N
XLogP4.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,7-dimethyl-1,2-dihydronaphthalene;ethane
CID 142943759
3,8-dimethyl-1,2-dihydronaphthalene;ethane
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CID 142623853
2-methyl-1,2-dihydrotriphenylene
CID 145204096
18-methyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16(21),19-nonaene
CID 144963652
(5S)-1-fluoro-2,5-dimethylcyclohexa-1,3-diene
CID 70325778
3,7-dimethyl-1,2-dihydronaphthalene;ethane;methane
CID 144671945
3,6-dimethyl-1,2-dihydronaphthalene;propane
CID 144809006
3,6-dimethyl-6,7-dihydro-1-benzothiophene
CID 143335332
(3S)-1,3-dimethylcyclobutene
CID 58737300
(5R)-2-chloro-1,5-dimethylcyclohexa-1,3-diene
CID 130391076
1-methyl-6,7,8,9-tetrahydro-1H-cyclopenta[a]naphthalene
CID 158194850

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-1,2,5,6-tetrahydrophenanthrene?
The IUPAC name of 2,7-dimethyl-1,2,5,6-tetrahydrophenanthrene (CID 143534934) is 2,7-dimethyl-1,2,5,6-tetrahydrophenanthrene.
What is the SMILES notation for 2,7-dimethyl-1,2,5,6-tetrahydrophenanthrene?
The canonical SMILES for 2,7-dimethyl-1,2,5,6-tetrahydrophenanthrene is CC1=Cc2ccc3c(c2CC1)C=CC(C)C3.
What is the InChIKey of 2,7-dimethyl-1,2,5,6-tetrahydrophenanthrene?
The InChIKey is FKXGLNADNIERBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18/c1-11-3-7-15-13(9-11)5-6-14-10-12(2)4-8-16(14)15/h3,5-7,10-11H,4,8-9H2,1-2H3.
What are the key properties of 2,7-dimethyl-1,2,5,6-tetrahydrophenanthrene?
2,7-dimethyl-1,2,5,6-tetrahydrophenanthrene has a molecular weight of 210.32 g/mol, XLogP of 4.24, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-1,2,5,6-tetrahydrophenanthrene is sourced from PubChem (CID 143534934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).