4,7-dimethyl-3,4-dihydrophenanthrene

C16H16 — CID 123770544

IUPAC4,7-dimethyl-3,4-dihydrophenanthrene
SMILESCc1ccc2c3c(ccc2c1)C=CCC3C
InChIInChI=1S/C16H16/c1-11-6-9-15-14(10-11)8-7-13-5-3-4-12(2)16(13)15/h3,5-10,12H,4H2,1-2H3
InChIKeyNOOXCTVWNJVCAP-UHFFFAOYSA-N
MW208.30 g/mol
LogP4.67
Rot. Bonds

About 4,7-dimethyl-3,4-dihydrophenanthrene

4,7-dimethyl-3,4-dihydrophenanthrene (PubChem CID 123770544) has the molecular formula C16H16 and a molecular weight of 208.30 g/mol. Its IUPAC name is 4,7-dimethyl-3,4-dihydrophenanthrene.

Molecular Properties

Compound Name4,7-dimethyl-3,4-dihydrophenanthrene
PubChem CID123770544
Molecular FormulaC16H16
Molecular Weight208.30 g/mol
Exact Mass208.13
IUPAC Name4,7-dimethyl-3,4-dihydrophenanthrene
SMILESCc1ccc2c3c(ccc2c1)C=CCC3C
InChIInChI=1S/C16H16/c1-11-6-9-15-14(10-11)8-7-13-5-3-4-12(2)16(13)15/h3,5-10,12H,4H2,1-2H3
InChIKeyNOOXCTVWNJVCAP-UHFFFAOYSA-N
XLogP4.67
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 ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyl-3,4-dihydrophenanthrene?
The IUPAC name of 4,7-dimethyl-3,4-dihydrophenanthrene (CID 123770544) is 4,7-dimethyl-3,4-dihydrophenanthrene.
What is the SMILES notation for 4,7-dimethyl-3,4-dihydrophenanthrene?
The canonical SMILES for 4,7-dimethyl-3,4-dihydrophenanthrene is Cc1ccc2c3c(ccc2c1)C=CCC3C.
What is the InChIKey of 4,7-dimethyl-3,4-dihydrophenanthrene?
The InChIKey is NOOXCTVWNJVCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16/c1-11-6-9-15-14(10-11)8-7-13-5-3-4-12(2)16(13)15/h3,5-10,12H,4H2,1-2H3.
What are the key properties of 4,7-dimethyl-3,4-dihydrophenanthrene?
4,7-dimethyl-3,4-dihydrophenanthrene has a molecular weight of 208.30 g/mol, XLogP of 4.67, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethyl-3,4-dihydrophenanthrene is sourced from PubChem (CID 123770544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).