1,2,3,4,5,6,9,10-octahydrophenanthrene

C14H18 — CID 148687611

IUPAC1,2,3,4,5,6,9,10-octahydrophenanthrene
SMILESC1=CC2=C(CC1)C1=C(CCCC1)CC2
InChIInChI=1S/C14H18/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1,5H,2-4,6-10H2
InChIKeyNSUYTPIRQJKWBU-UHFFFAOYSA-N
MW186.30 g/mol
LogP4.30
Rot. Bonds

About 1,2,3,4,5,6,9,10-octahydrophenanthrene

1,2,3,4,5,6,9,10-octahydrophenanthrene (PubChem CID 148687611) has the molecular formula C14H18 and a molecular weight of 186.30 g/mol. Its IUPAC name is 1,2,3,4,5,6,9,10-octahydrophenanthrene.

Molecular Properties

Compound Name1,2,3,4,5,6,9,10-octahydrophenanthrene
PubChem CID148687611
Molecular FormulaC14H18
Molecular Weight186.30 g/mol
Exact Mass186.14
IUPAC Name1,2,3,4,5,6,9,10-octahydrophenanthrene
SMILESC1=CC2=C(CC1)C1=C(CCCC1)CC2
InChIInChI=1S/C14H18/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1,5H,2-4,6-10H2
InChIKeyNSUYTPIRQJKWBU-UHFFFAOYSA-N
XLogP4.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,9,10-octahydrophenanthrene?
The IUPAC name of 1,2,3,4,5,6,9,10-octahydrophenanthrene (CID 148687611) is 1,2,3,4,5,6,9,10-octahydrophenanthrene.
What is the SMILES notation for 1,2,3,4,5,6,9,10-octahydrophenanthrene?
The canonical SMILES for 1,2,3,4,5,6,9,10-octahydrophenanthrene is C1=CC2=C(CC1)C1=C(CCCC1)CC2.
What is the InChIKey of 1,2,3,4,5,6,9,10-octahydrophenanthrene?
The InChIKey is NSUYTPIRQJKWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1,5H,2-4,6-10H2.
What are the key properties of 1,2,3,4,5,6,9,10-octahydrophenanthrene?
1,2,3,4,5,6,9,10-octahydrophenanthrene has a molecular weight of 186.30 g/mol, XLogP of 4.30, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6,9,10-octahydrophenanthrene is sourced from PubChem (CID 148687611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).