3-cyclopentylphenanthrene

C19H18 — CID 173264329

IUPAC3-cyclopentylphenanthrene
SMILESc1ccc2c(c1)ccc1ccc(C3CCCC3)cc12
InChIInChI=1S/C19H18/c1-2-6-14(5-1)17-12-11-16-10-9-15-7-3-4-8-18(15)19(16)13-17/h3-4,7-14H,1-2,5-6H2
InChIKeyBWQAQBYNIQUMDD-UHFFFAOYSA-N
MW246.35 g/mol
LogP5.65
Rot. Bonds1

About 3-cyclopentylphenanthrene

3-cyclopentylphenanthrene (PubChem CID 173264329) has the molecular formula C19H18 and a molecular weight of 246.35 g/mol. Its IUPAC name is 3-cyclopentylphenanthrene.

Molecular Properties

Compound Name3-cyclopentylphenanthrene
PubChem CID173264329
Molecular FormulaC19H18
Molecular Weight246.35 g/mol
Exact Mass246.14
IUPAC Name3-cyclopentylphenanthrene
SMILESc1ccc2c(c1)ccc1ccc(C3CCCC3)cc12
InChIInChI=1S/C19H18/c1-2-6-14(5-1)17-12-11-16-10-9-15-7-3-4-8-18(15)19(16)13-17/h3-4,7-14H,1-2,5-6H2
InChIKeyBWQAQBYNIQUMDD-UHFFFAOYSA-N
XLogP5.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.35
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2,6-dicyclopentylnaphthalene
CID 91354429
naphtho[1,2-b]phenanthrene
CID 5889
2-cyclohexyldibenzothiophene
CID 154097064
2-cyclohexyldibenzofuran
CID 163628573
2-cyclopropylanthracene
CID 91468721
heptacyclo[16.12.0.03,16.04,13.07,12.019,28.022,27]triaconta-1,3(16),4(13),5,7,9,11,14,17,19(28),20,22,24,26,29-pentadecaene
CID 6431039
tris(naphtho[1,2-b]phenanthrene);bis(pentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene)
CID 160566024
octacyclo[16.16.0.02,15.04,13.07,12.019,32.022,31.023,28]tetratriaconta-1(18),2,4(13),5,7,9,11,14,16,19(32),20,22(31),23,25,27,29,33-heptadecaene
CID 173096286
7-cyclopentylquinoline
CID 150521921
6-cyclohexyl-12,22-dioxahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene
CID 118153185
2-cyclohexyl-9,10-bis(3-naphthalen-1-ylphenyl)-6-phenylanthracene
CID 58323521
2-cyclopentylnaphthalene-1-thiol
CID 67281948

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentylphenanthrene?
The IUPAC name of 3-cyclopentylphenanthrene (CID 173264329) is 3-cyclopentylphenanthrene.
What is the SMILES notation for 3-cyclopentylphenanthrene?
The canonical SMILES for 3-cyclopentylphenanthrene is c1ccc2c(c1)ccc1ccc(C3CCCC3)cc12.
What is the InChIKey of 3-cyclopentylphenanthrene?
The InChIKey is BWQAQBYNIQUMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18/c1-2-6-14(5-1)17-12-11-16-10-9-15-7-3-4-8-18(15)19(16)13-17/h3-4,7-14H,1-2,5-6H2.
What are the key properties of 3-cyclopentylphenanthrene?
3-cyclopentylphenanthrene has a molecular weight of 246.35 g/mol, XLogP of 5.65, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentylphenanthrene is sourced from PubChem (CID 173264329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).