3,10-dimethyl-3,4,9,10-tetrahydrophenanthrene

C16H18 — CID 123300058

IUPAC3,10-dimethyl-3,4,9,10-tetrahydrophenanthrene
SMILESCC1C=CC2=C(C1)c1ccccc1CC2C
InChIInChI=1S/C16H18/c1-11-7-8-14-12(2)10-13-5-3-4-6-15(13)16(14)9-11/h3-8,11-12H,9-10H2,1-2H3
InChIKeyUHCRNWWCCGWAAU-UHFFFAOYSA-N
MW210.32 g/mol
LogP4.23
Rot. Bonds

About 3,10-dimethyl-3,4,9,10-tetrahydrophenanthrene

3,10-dimethyl-3,4,9,10-tetrahydrophenanthrene (PubChem CID 123300058) has the molecular formula C16H18 and a molecular weight of 210.32 g/mol. Its IUPAC name is 3,10-dimethyl-3,4,9,10-tetrahydrophenanthrene.

Molecular Properties

Compound Name3,10-dimethyl-3,4,9,10-tetrahydrophenanthrene
PubChem CID123300058
Molecular FormulaC16H18
Molecular Weight210.32 g/mol
Exact Mass210.14
IUPAC Name3,10-dimethyl-3,4,9,10-tetrahydrophenanthrene
SMILESCC1C=CC2=C(C1)c1ccccc1CC2C
InChIInChI=1S/C16H18/c1-11-7-8-14-12(2)10-13-5-3-4-6-15(13)16(14)9-11/h3-8,11-12H,9-10H2,1-2H3
InChIKeyUHCRNWWCCGWAAU-UHFFFAOYSA-N
XLogP4.23
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 ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3,10-dimethyl-3,4,9,10-tetrahydrophenanthrene?
The IUPAC name of 3,10-dimethyl-3,4,9,10-tetrahydrophenanthrene (CID 123300058) is 3,10-dimethyl-3,4,9,10-tetrahydrophenanthrene.
What is the SMILES notation for 3,10-dimethyl-3,4,9,10-tetrahydrophenanthrene?
The canonical SMILES for 3,10-dimethyl-3,4,9,10-tetrahydrophenanthrene is CC1C=CC2=C(C1)c1ccccc1CC2C.
What is the InChIKey of 3,10-dimethyl-3,4,9,10-tetrahydrophenanthrene?
The InChIKey is UHCRNWWCCGWAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18/c1-11-7-8-14-12(2)10-13-5-3-4-6-15(13)16(14)9-11/h3-8,11-12H,9-10H2,1-2H3.
What are the key properties of 3,10-dimethyl-3,4,9,10-tetrahydrophenanthrene?
3,10-dimethyl-3,4,9,10-tetrahydrophenanthrene has a molecular weight of 210.32 g/mol, XLogP of 4.23, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,10-dimethyl-3,4,9,10-tetrahydrophenanthrene is sourced from PubChem (CID 123300058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).