15H-cyclopenta[a]phenanthrene-17-carboxylic acid

C18H12O2 — CID 90303427

IUPAC15H-cyclopenta[a]phenanthrene-17-carboxylic acid
SMILESO=C(O)C1=CCc2c1ccc1c2ccc2ccccc21
InChIInChI=1S/C18H12O2/c19-18(20)17-10-9-15-14-6-5-11-3-1-2-4-12(11)13(14)7-8-16(15)17/h1-8,10H,9H2,(H,19,20)
InChIKeyUJCOBGFMUPAHGS-UHFFFAOYSA-N
MW260.29 g/mol
LogP4.02
Rot. Bonds1

About 15H-cyclopenta[a]phenanthrene-17-carboxylic acid

15H-cyclopenta[a]phenanthrene-17-carboxylic acid (PubChem CID 90303427) has the molecular formula C18H12O2 and a molecular weight of 260.29 g/mol. Its IUPAC name is 15H-cyclopenta[a]phenanthrene-17-carboxylic acid.

Molecular Properties

Compound Name15H-cyclopenta[a]phenanthrene-17-carboxylic acid
PubChem CID90303427
Molecular FormulaC18H12O2
Molecular Weight260.29 g/mol
Exact Mass260.08
IUPAC Name15H-cyclopenta[a]phenanthrene-17-carboxylic acid
SMILESO=C(O)C1=CCc2c1ccc1c2ccc2ccccc21
InChIInChI=1S/C18H12O2/c19-18(20)17-10-9-15-14-6-5-11-3-1-2-4-12(11)13(14)7-8-16(15)17/h1-8,10H,9H2,(H,19,20)
InChIKeyUJCOBGFMUPAHGS-UHFFFAOYSA-N
XLogP4.02
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

15H-cyclopenta[a]phenanthren-17-yl octanoate
CID 140607676
acetic acid;chrysene
CID 175201446
phthalic acid;1,2,3,4-tetrahydrochrysene
CID 174257293
2-(1H-cyclopenta[a]naphthalen-3-yl)triphenylene
CID 58489360
phenanthren-2-yl(phenyl)methanone
CID 131857195
chrysene;iron
CID 157379031
phenanthrene;sulfane
CID 159172584
heptacyclo[15.12.0.02,15.05,14.06,11.018,27.020,25]nonacosa-1(17),2(15),3,5(14),6,8,10,12,18,20,22,24,26,28-tetradecaene
CID 59742046
naphthalene-2-carboxylic acid;1,2,3,4-tetrahydrochrysen-1-amine
CID 174487733
3,4-dihydrochrysen-1-yl adamantane-1-carboxylate
CID 174909750
methyl 3,4-dihydrophenanthrene-1-carboxylate
CID 601807
ethene;picene
CID 175286520

Frequently Asked Questions

What is the IUPAC name of 15H-cyclopenta[a]phenanthrene-17-carboxylic acid?
The IUPAC name of 15H-cyclopenta[a]phenanthrene-17-carboxylic acid (CID 90303427) is 15H-cyclopenta[a]phenanthrene-17-carboxylic acid.
What is the SMILES notation for 15H-cyclopenta[a]phenanthrene-17-carboxylic acid?
The canonical SMILES for 15H-cyclopenta[a]phenanthrene-17-carboxylic acid is O=C(O)C1=CCc2c1ccc1c2ccc2ccccc21.
What is the InChIKey of 15H-cyclopenta[a]phenanthrene-17-carboxylic acid?
The InChIKey is UJCOBGFMUPAHGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12O2/c19-18(20)17-10-9-15-14-6-5-11-3-1-2-4-12(11)13(14)7-8-16(15)17/h1-8,10H,9H2,(H,19,20).
What are the key properties of 15H-cyclopenta[a]phenanthrene-17-carboxylic acid?
15H-cyclopenta[a]phenanthrene-17-carboxylic acid has a molecular weight of 260.29 g/mol, XLogP of 4.02, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 15H-cyclopenta[a]phenanthrene-17-carboxylic acid is sourced from PubChem (CID 90303427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).