4-ethenyl-7-hydroxy-8-methyl-9,10-dihydrophenanthrene-2-carboxylic acid

C18H16O3 — CID 91099236

IUPAC4-ethenyl-7-hydroxy-8-methyl-9,10-dihydrophenanthrene-2-carboxylic acid
SMILESC=Cc1cc(C(=O)O)cc2c1-c1ccc(O)c(C)c1CC2
InChIInChI=1S/C18H16O3/c1-3-11-8-13(18(20)21)9-12-4-5-14-10(2)16(19)7-6-15(14)17(11)12/h3,6-9,19H,1,4-5H2,2H3,(H,20,21)
InChIKeyVYUORFXKOFIHIH-UHFFFAOYSA-N
MW280.32 g/mol
LogP3.81
Rot. Bonds2

About 4-ethenyl-7-hydroxy-8-methyl-9,10-dihydrophenanthrene-2-carboxylic acid

4-ethenyl-7-hydroxy-8-methyl-9,10-dihydrophenanthrene-2-carboxylic acid (PubChem CID 91099236) has the molecular formula C18H16O3 and a molecular weight of 280.32 g/mol. Its IUPAC name is 4-ethenyl-7-hydroxy-8-methyl-9,10-dihydrophenanthrene-2-carboxylic acid.

Molecular Properties

Compound Name4-ethenyl-7-hydroxy-8-methyl-9,10-dihydrophenanthrene-2-carboxylic acid
PubChem CID91099236
Molecular FormulaC18H16O3
Molecular Weight280.32 g/mol
Exact Mass280.11
IUPAC Name4-ethenyl-7-hydroxy-8-methyl-9,10-dihydrophenanthrene-2-carboxylic acid
SMILESC=Cc1cc(C(=O)O)cc2c1-c1ccc(O)c(C)c1CC2
InChIInChI=1S/C18H16O3/c1-3-11-8-13(18(20)21)9-12-4-5-14-10(2)16(19)7-6-15(14)17(11)12/h3,6-9,19H,1,4-5H2,2H3,(H,20,21)
InChIKeyVYUORFXKOFIHIH-UHFFFAOYSA-N
XLogP3.81
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-ethenyl-7-hydroxy-8-methyl-9,10-dihydrophenanthrene-2-carboxylic 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 4-ethenyl-7-hydroxy-8-methyl-9,10-dihydrophenanthrene-2-carboxylic acid?
The IUPAC name of 4-ethenyl-7-hydroxy-8-methyl-9,10-dihydrophenanthrene-2-carboxylic acid (CID 91099236) is 4-ethenyl-7-hydroxy-8-methyl-9,10-dihydrophenanthrene-2-carboxylic acid.
What is the SMILES notation for 4-ethenyl-7-hydroxy-8-methyl-9,10-dihydrophenanthrene-2-carboxylic acid?
The canonical SMILES for 4-ethenyl-7-hydroxy-8-methyl-9,10-dihydrophenanthrene-2-carboxylic acid is C=Cc1cc(C(=O)O)cc2c1-c1ccc(O)c(C)c1CC2.
What is the InChIKey of 4-ethenyl-7-hydroxy-8-methyl-9,10-dihydrophenanthrene-2-carboxylic acid?
The InChIKey is VYUORFXKOFIHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O3/c1-3-11-8-13(18(20)21)9-12-4-5-14-10(2)16(19)7-6-15(14)17(11)12/h3,6-9,19H,1,4-5H2,2H3,(H,20,21).
What are the key properties of 4-ethenyl-7-hydroxy-8-methyl-9,10-dihydrophenanthrene-2-carboxylic acid?
4-ethenyl-7-hydroxy-8-methyl-9,10-dihydrophenanthrene-2-carboxylic acid has a molecular weight of 280.32 g/mol, XLogP of 3.81, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-7-hydroxy-8-methyl-9,10-dihydrophenanthrene-2-carboxylic acid is sourced from PubChem (CID 91099236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).