5-(9,10-dihydrophenanthren-3-yl)-3-methylpentanoic acid

C20H22O2 — CID 90655696

IUPAC5-(9,10-dihydrophenanthren-3-yl)-3-methylpentanoic acid
SMILESCC(CCc1ccc2c(c1)-c1ccccc1CC2)CC(=O)O
InChIInChI=1S/C20H22O2/c1-14(12-20(21)22)6-7-15-8-9-17-11-10-16-4-2-3-5-18(16)19(17)13-15/h2-5,8-9,13-14H,6-7,10-12H2,1H3,(H,21,22)
InChIKeyLWHYQVFAHZASJH-UHFFFAOYSA-N
MW294.39 g/mol
LogP4.50
Rot. Bonds5

About 5-(9,10-dihydrophenanthren-3-yl)-3-methylpentanoic acid

5-(9,10-dihydrophenanthren-3-yl)-3-methylpentanoic acid (PubChem CID 90655696) has the molecular formula C20H22O2 and a molecular weight of 294.39 g/mol. Its IUPAC name is 5-(9,10-dihydrophenanthren-3-yl)-3-methylpentanoic acid.

Molecular Properties

Compound Name5-(9,10-dihydrophenanthren-3-yl)-3-methylpentanoic acid
PubChem CID90655696
Molecular FormulaC20H22O2
Molecular Weight294.39 g/mol
Exact Mass294.16
IUPAC Name5-(9,10-dihydrophenanthren-3-yl)-3-methylpentanoic acid
SMILESCC(CCc1ccc2c(c1)-c1ccccc1CC2)CC(=O)O
InChIInChI=1S/C20H22O2/c1-14(12-20(21)22)6-7-15-8-9-17-11-10-16-4-2-3-5-18(16)19(17)13-15/h2-5,8-9,13-14H,6-7,10-12H2,1H3,(H,21,22)
InChIKeyLWHYQVFAHZASJH-UHFFFAOYSA-N
XLogP4.50
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-(9,10-dihydrophenanthren-3-yl)-3-methylpentanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(9,10-dihydrophenanthren-3-yl)-3-methylpentanoic acid?
The IUPAC name of 5-(9,10-dihydrophenanthren-3-yl)-3-methylpentanoic acid (CID 90655696) is 5-(9,10-dihydrophenanthren-3-yl)-3-methylpentanoic acid.
What is the SMILES notation for 5-(9,10-dihydrophenanthren-3-yl)-3-methylpentanoic acid?
The canonical SMILES for 5-(9,10-dihydrophenanthren-3-yl)-3-methylpentanoic acid is CC(CCc1ccc2c(c1)-c1ccccc1CC2)CC(=O)O.
What is the InChIKey of 5-(9,10-dihydrophenanthren-3-yl)-3-methylpentanoic acid?
The InChIKey is LWHYQVFAHZASJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O2/c1-14(12-20(21)22)6-7-15-8-9-17-11-10-16-4-2-3-5-18(16)19(17)13-15/h2-5,8-9,13-14H,6-7,10-12H2,1H3,(H,21,22).
What are the key properties of 5-(9,10-dihydrophenanthren-3-yl)-3-methylpentanoic acid?
5-(9,10-dihydrophenanthren-3-yl)-3-methylpentanoic acid has a molecular weight of 294.39 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(9,10-dihydrophenanthren-3-yl)-3-methylpentanoic acid is sourced from PubChem (CID 90655696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).