5-hydroxy-2,2-dimethyl-7-(2-phenylethyl)chromene-8-carboxylic acid

C20H20O4 — CID 177390400

IUPAC5-hydroxy-2,2-dimethyl-7-(2-phenylethyl)chromene-8-carboxylic acid
SMILESCC1(C)C=Cc2c(O)cc(CCc3ccccc3)c(C(=O)O)c2O1
InChIInChI=1S/C20H20O4/c1-20(2)11-10-15-16(21)12-14(17(19(22)23)18(15)24-20)9-8-13-6-4-3-5-7-13/h3-7,10-12,21H,8-9H2,1-2H3,(H,22,23)
InChIKeySJQIHEIAGBTRLQ-UHFFFAOYSA-N
MW324.38 g/mol
LogP4.06
Rot. Bonds4

About 5-hydroxy-2,2-dimethyl-7-(2-phenylethyl)chromene-8-carboxylic acid

5-hydroxy-2,2-dimethyl-7-(2-phenylethyl)chromene-8-carboxylic acid (PubChem CID 177390400) has the molecular formula C20H20O4 and a molecular weight of 324.38 g/mol. Its IUPAC name is 5-hydroxy-2,2-dimethyl-7-(2-phenylethyl)chromene-8-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-2,2-dimethyl-7-(2-phenylethyl)chromene-8-carboxylic acid
PubChem CID177390400
Molecular FormulaC20H20O4
Molecular Weight324.38 g/mol
Exact Mass324.14
IUPAC Name5-hydroxy-2,2-dimethyl-7-(2-phenylethyl)chromene-8-carboxylic acid
SMILESCC1(C)C=Cc2c(O)cc(CCc3ccccc3)c(C(=O)O)c2O1
InChIInChI=1S/C20H20O4/c1-20(2)11-10-15-16(21)12-14(17(19(22)23)18(15)24-20)9-8-13-6-4-3-5-7-13/h3-7,10-12,21H,8-9H2,1-2H3,(H,22,23)
InChIKeySJQIHEIAGBTRLQ-UHFFFAOYSA-N
XLogP4.06
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-hydroxy-2,2-dimethyl-7-(2-phenylethyl)chromene-8-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

Related Compounds

2-ethyl-2-methyl-7-(2-phenylethyl)chromen-5-ol
CID 169149697
5-hydroxy-2-methyl-2-(4-methylpent-3-enyl)-7-propylchromene-8-carboxylic acid;methane
CID 160826547
7-methoxy-2,2-dimethyl-5-(2-phenylethyl)chromene
CID 14805899
5-hydroxy-2-methyl-2-(4-methylpent-3-enyl)-7-pentylchromene-8-carboxylic acid
CID 130433429
(5,7-dihydroxy-2,2-dimethylchromen-8-yl)-[3-hydroxy-2-(3-methylbut-2-enyl)phenyl]methanone
CID 10523817
2-[2-(7-methoxy-2,2,8-trimethylchromen-5-yl)ethyl]phenol
CID 11370750
1-(5,6,7-trihydroxy-2,2-dimethylchromen-8-yl)ethanone
CID 150032259
[5,7-dihydroxy-2,2-dimethyl-8-(3-methylbut-2-enyl)chromen-6-yl]-phenylmethanone
CID 91993519
(2,2-dimethyl-8-oxo-10-propylpyrano[2,3-f]chromen-5-yl) benzoate
CID 90677252
1-(7-hydroxy-2,2,5-trimethylchromen-6-yl)ethanone
CID 13462851
1-(7-hydroxy-5-methoxy-2,2-dimethylchromen-6-yl)-3-phenylprop-2-en-1-one
CID 73195975
2-(2-phenylethyl)perylene-3,4,9,10-tetracarboxylic acid
CID 175483573

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2,2-dimethyl-7-(2-phenylethyl)chromene-8-carboxylic acid?
The IUPAC name of 5-hydroxy-2,2-dimethyl-7-(2-phenylethyl)chromene-8-carboxylic acid (CID 177390400) is 5-hydroxy-2,2-dimethyl-7-(2-phenylethyl)chromene-8-carboxylic acid.
What is the SMILES notation for 5-hydroxy-2,2-dimethyl-7-(2-phenylethyl)chromene-8-carboxylic acid?
The canonical SMILES for 5-hydroxy-2,2-dimethyl-7-(2-phenylethyl)chromene-8-carboxylic acid is CC1(C)C=Cc2c(O)cc(CCc3ccccc3)c(C(=O)O)c2O1.
What is the InChIKey of 5-hydroxy-2,2-dimethyl-7-(2-phenylethyl)chromene-8-carboxylic acid?
The InChIKey is SJQIHEIAGBTRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O4/c1-20(2)11-10-15-16(21)12-14(17(19(22)23)18(15)24-20)9-8-13-6-4-3-5-7-13/h3-7,10-12,21H,8-9H2,1-2H3,(H,22,23).
What are the key properties of 5-hydroxy-2,2-dimethyl-7-(2-phenylethyl)chromene-8-carboxylic acid?
5-hydroxy-2,2-dimethyl-7-(2-phenylethyl)chromene-8-carboxylic acid has a molecular weight of 324.38 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2,2-dimethyl-7-(2-phenylethyl)chromene-8-carboxylic acid is sourced from PubChem (CID 177390400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).