1,8-dimethyl-1,2,10,10a-tetrahydrophenanthrene

C16H18 — CID 91610110

IUPAC1,8-dimethyl-1,2,10,10a-tetrahydrophenanthrene
SMILESCc1cccc2c1=CCC1C=2C=CCC1C
InChIInChI=1S/C16H18/c1-11-5-3-7-15-13(11)9-10-14-12(2)6-4-8-16(14)15/h3-5,7-9,12,14H,6,10H2,1-2H3
InChIKeyCFBGIRBDEIDYAH-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.54
Rot. Bonds

About 1,8-dimethyl-1,2,10,10a-tetrahydrophenanthrene

1,8-dimethyl-1,2,10,10a-tetrahydrophenanthrene (PubChem CID 91610110) has the molecular formula C16H18 and a molecular weight of 210.32 g/mol. Its IUPAC name is 1,8-dimethyl-1,2,10,10a-tetrahydrophenanthrene.

Molecular Properties

Compound Name1,8-dimethyl-1,2,10,10a-tetrahydrophenanthrene
PubChem CID91610110
Molecular FormulaC16H18
Molecular Weight210.32 g/mol
Exact Mass210.14
IUPAC Name1,8-dimethyl-1,2,10,10a-tetrahydrophenanthrene
SMILESCc1cccc2c1=CCC1C=2C=CCC1C
InChIInChI=1S/C16H18/c1-11-5-3-7-15-13(11)9-10-14-12(2)6-4-8-16(14)15/h3-5,7-9,12,14H,6,10H2,1-2H3
InChIKeyCFBGIRBDEIDYAH-UHFFFAOYSA-N
XLogP2.54
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 ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1,8-dimethyl-1,2,10,10a-tetrahydrophenanthrene?
The IUPAC name of 1,8-dimethyl-1,2,10,10a-tetrahydrophenanthrene (CID 91610110) is 1,8-dimethyl-1,2,10,10a-tetrahydrophenanthrene.
What is the SMILES notation for 1,8-dimethyl-1,2,10,10a-tetrahydrophenanthrene?
The canonical SMILES for 1,8-dimethyl-1,2,10,10a-tetrahydrophenanthrene is Cc1cccc2c1=CCC1C=2C=CCC1C.
What is the InChIKey of 1,8-dimethyl-1,2,10,10a-tetrahydrophenanthrene?
The InChIKey is CFBGIRBDEIDYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18/c1-11-5-3-7-15-13(11)9-10-14-12(2)6-4-8-16(14)15/h3-5,7-9,12,14H,6,10H2,1-2H3.
What are the key properties of 1,8-dimethyl-1,2,10,10a-tetrahydrophenanthrene?
1,8-dimethyl-1,2,10,10a-tetrahydrophenanthrene has a molecular weight of 210.32 g/mol, XLogP of 2.54, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-dimethyl-1,2,10,10a-tetrahydrophenanthrene is sourced from PubChem (CID 91610110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).