3-propyl-1H-cyclopenta[a]naphthalene

C16H16 — CID 140856502

IUPAC3-propyl-1H-cyclopenta[a]naphthalene
SMILESCCCC1=CCc2c1ccc1ccccc21
InChIInChI=1S/C16H16/c1-2-5-12-9-11-16-14-7-4-3-6-13(14)8-10-15(12)16/h3-4,6-10H,2,5,11H2,1H3
InChIKeyQKNOLYNFMAYMBH-UHFFFAOYSA-N
MW208.30 g/mol
LogP4.58
Rot. Bonds2

About 3-propyl-1H-cyclopenta[a]naphthalene

3-propyl-1H-cyclopenta[a]naphthalene (PubChem CID 140856502) has the molecular formula C16H16 and a molecular weight of 208.30 g/mol. Its IUPAC name is 3-propyl-1H-cyclopenta[a]naphthalene.

Molecular Properties

Compound Name3-propyl-1H-cyclopenta[a]naphthalene
PubChem CID140856502
Molecular FormulaC16H16
Molecular Weight208.30 g/mol
Exact Mass208.13
IUPAC Name3-propyl-1H-cyclopenta[a]naphthalene
SMILESCCCC1=CCc2c1ccc1ccccc21
InChIInChI=1S/C16H16/c1-2-5-12-9-11-16-14-7-4-3-6-13(14)8-10-15(12)16/h3-4,6-10H,2,5,11H2,1H3
InChIKeyQKNOLYNFMAYMBH-UHFFFAOYSA-N
XLogP4.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-propyl-1H-cyclopenta[b]naphthalene
CID 156638255
2-(1H-cyclopenta[a]naphthalen-3-yl)triphenylene
CID 58489360
1-propyl-3,4,5,6-tetrahydrochrysene
CID 174923290
15H-cyclopenta[a]phenanthrene-17-carboxylic acid
CID 90303427
2-propyl-1-(2-propylnaphthalen-1-yl)naphthalene
CID 59336410
2-(2-phenylphenyl)-1-propylnaphthalene
CID 173154100
N-(1H-cyclopenta[a]naphthalen-3-yl)-N,4-dimethylbenzenesulfonamide
CID 102308987
15H-cyclopenta[a]phenanthren-17-yl octanoate
CID 140607676
8-methylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene
CID 159418774
heptane;phenanthrene
CID 157482146
butane;chrysene;ethane
CID 143984277
1,2,3,4-tetrapropylanthracene
CID 15504630

Frequently Asked Questions

What is the IUPAC name of 3-propyl-1H-cyclopenta[a]naphthalene?
The IUPAC name of 3-propyl-1H-cyclopenta[a]naphthalene (CID 140856502) is 3-propyl-1H-cyclopenta[a]naphthalene.
What is the SMILES notation for 3-propyl-1H-cyclopenta[a]naphthalene?
The canonical SMILES for 3-propyl-1H-cyclopenta[a]naphthalene is CCCC1=CCc2c1ccc1ccccc21.
What is the InChIKey of 3-propyl-1H-cyclopenta[a]naphthalene?
The InChIKey is QKNOLYNFMAYMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16/c1-2-5-12-9-11-16-14-7-4-3-6-13(14)8-10-15(12)16/h3-4,6-10H,2,5,11H2,1H3.
What are the key properties of 3-propyl-1H-cyclopenta[a]naphthalene?
3-propyl-1H-cyclopenta[a]naphthalene has a molecular weight of 208.30 g/mol, XLogP of 4.58, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-1H-cyclopenta[a]naphthalene is sourced from PubChem (CID 140856502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).