4a,4b-dihydrophenanthrene

C14H12 — CID 59766474

IUPAC4a,4b-dihydrophenanthrene
SMILESC1=CC2=CC=C3C=CC=CC3C2C=C1
InChIInChI=1S/C14H12/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-10,13-14H
InChIKeyZQNQJMXFVWUBDO-UHFFFAOYSA-N
MW180.25 g/mol
LogP3.34
Rot. Bonds

About 4a,4b-dihydrophenanthrene

4a,4b-dihydrophenanthrene (PubChem CID 59766474) has the molecular formula C14H12 and a molecular weight of 180.25 g/mol. Its IUPAC name is 4a,4b-dihydrophenanthrene.

Molecular Properties

Compound Name4a,4b-dihydrophenanthrene
PubChem CID59766474
Molecular FormulaC14H12
Molecular Weight180.25 g/mol
Exact Mass180.09
IUPAC Name4a,4b-dihydrophenanthrene
SMILESC1=CC2=CC=C3C=CC=CC3C2C=C1
InChIInChI=1S/C14H12/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-10,13-14H
InChIKeyZQNQJMXFVWUBDO-UHFFFAOYSA-N
XLogP3.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 4a,4b-dihydrophenanthrene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,4,9-Cadinatriene
CID 14083575
Cadala-1(10),3,8-triene
CID 593889
1,2,4a,5,8,8a-Hexahydro-naphthalene
CID 561715
o-Mentha-1(7),5,8-triene
CID 71403442
(1S,8aR)-4,7-dimethyl-1-propan-2-yl-1,2,6,8a-tetrahydronaphthalene
CID 14083576
(1E,5S,6E)-1-methyl-8-methylidene-5-propan-2-ylcyclodeca-1,6-diene
CID 162886196
(1S,8aS)-4,7-dimethyl-1-propan-2-yl-1,2,6,8a-tetrahydronaphthalene
CID 163008442
(1E,6E,10S)-3-methylidene-10-propan-2-ylcyclodeca-1,6-diene
CID 163075641
Bicyclo(2.2.2)octa-2,5-diene, 7,8-bis(methylene)-
CID 142873
1,4,4a,5,8,8a-Hexahydro-naphthalene
CID 556748
Naphthalene, 1,2,3,4,4a,8a-hexahydro-
CID 561877
1,2,3,7,8,8a-Hexahydronaphthalene
CID 13539897

Frequently Asked Questions

What is the IUPAC name of 4a,4b-dihydrophenanthrene?
The IUPAC name of 4a,4b-dihydrophenanthrene (CID 59766474) is 4a,4b-dihydrophenanthrene.
What is the SMILES notation for 4a,4b-dihydrophenanthrene?
The canonical SMILES for 4a,4b-dihydrophenanthrene is C1=CC2=CC=C3C=CC=CC3C2C=C1.
What is the InChIKey of 4a,4b-dihydrophenanthrene?
The InChIKey is ZQNQJMXFVWUBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-10,13-14H.
What are the key properties of 4a,4b-dihydrophenanthrene?
4a,4b-dihydrophenanthrene has a molecular weight of 180.25 g/mol, XLogP of 3.34, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4a,4b-dihydrophenanthrene is sourced from PubChem (CID 59766474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).