3-(2,2,5,7-tetramethyl-6-phenylmethoxy-3,4-dihydrochromen-8-yl)propanoic acid

C23H28O4 — CID 67942088

IUPAC3-(2,2,5,7-tetramethyl-6-phenylmethoxy-3,4-dihydrochromen-8-yl)propanoic acid
SMILESCc1c(CCC(=O)O)c2c(c(C)c1OCc1ccccc1)CCC(C)(C)O2
InChIInChI=1S/C23H28O4/c1-15-18(10-11-20(24)25)22-19(12-13-23(3,4)27-22)16(2)21(15)26-14-17-8-6-5-7-9-17/h5-9H,10-14H2,1-4H3,(H,24,25)
InChIKeyLPGDZPLPDSJGJX-UHFFFAOYSA-N
MW368.47 g/mol
LogP5.00
Rot. Bonds6

About 3-(2,2,5,7-tetramethyl-6-phenylmethoxy-3,4-dihydrochromen-8-yl)propanoic acid

3-(2,2,5,7-tetramethyl-6-phenylmethoxy-3,4-dihydrochromen-8-yl)propanoic acid (PubChem CID 67942088) has the molecular formula C23H28O4 and a molecular weight of 368.47 g/mol. Its IUPAC name is 3-(2,2,5,7-tetramethyl-6-phenylmethoxy-3,4-dihydrochromen-8-yl)propanoic acid.

Molecular Properties

Compound Name3-(2,2,5,7-tetramethyl-6-phenylmethoxy-3,4-dihydrochromen-8-yl)propanoic acid
PubChem CID67942088
Molecular FormulaC23H28O4
Molecular Weight368.47 g/mol
Exact Mass368.20
IUPAC Name3-(2,2,5,7-tetramethyl-6-phenylmethoxy-3,4-dihydrochromen-8-yl)propanoic acid
SMILESCc1c(CCC(=O)O)c2c(c(C)c1OCc1ccccc1)CCC(C)(C)O2
InChIInChI=1S/C23H28O4/c1-15-18(10-11-20(24)25)22-19(12-13-23(3,4)27-22)16(2)21(15)26-14-17-8-6-5-7-9-17/h5-9H,10-14H2,1-4H3,(H,24,25)
InChIKeyLPGDZPLPDSJGJX-UHFFFAOYSA-N
XLogP5.00
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.47
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2,2,5,7-tetramethyl-6-phenylmethoxy-3,4-dihydrochromen-8-yl)propanoic 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

3-(2,2,5,7-tetramethyl-6-phenylmethoxy-3,4-dihydrochromen-8-yl)propanal
CID 19877353
methyl 2,5,7,8-tetramethyl-6-phenylmethoxy-3,4-dihydrochromene-2-carboxylate
CID 10570125
2,2-dimethyl-7-phenylmethoxy-3,4-dihydrobenzo[h]chromene-5-carboxylic acid
CID 162656091
4-[2,4,5-trimethyl-3,6-bis(phenylmethoxy)phenyl]butan-2-one
CID 54428047
3,5-dihydroxy-7-(2,2,4-trimethyl-5-phenylmethoxy-6-propan-2-yl-3H-1-benzofuran-7-yl)heptanoic acid
CID 67874874
2,5,7,8-tetramethyl-6-phenylmethoxy-2-prop-2-enyl-3,4-dihydrochromene
CID 14210609
3-(2,2,6-trimethyl-5-phenylmethoxy-4-propyl-3H-1-benzofuran-7-yl)propanenitrile
CID 67752685
2-[(2S)-2,5,7,8-tetramethyl-6-phenylmethoxy-3,4-dihydrochromen-2-yl]ethyl 4-methylbenzenesulfonate
CID 11225673
(3,7-dimethylbicyclo[3.3.1]nonane-1-carbonyl) 2,5,7,8-tetramethyl-6-phenylmethoxy-3,4-dihydrochromene-2-carboxylate;ethane
CID 166169591
(2S)-2,5,7,8-tetramethyl-6-phenylmethoxy-3,4-dihydro-2H-chromene
CID 70422364
3-(5-methoxy-2,2,8,8-tetramethyl-3,4,6,7-tetrahydropyrano[3,2-g]chromen-10-yl)-1,1-diphenylpropan-1-ol
CID 627589
ethyl 5-hydroxy-3-oxo-7-(2,2,4-trimethyl-5-phenylmethoxy-6-propan-2-yl-3H-1-benzofuran-7-yl)heptanoate
CID 19877306

Frequently Asked Questions

What is the IUPAC name of 3-(2,2,5,7-tetramethyl-6-phenylmethoxy-3,4-dihydrochromen-8-yl)propanoic acid?
The IUPAC name of 3-(2,2,5,7-tetramethyl-6-phenylmethoxy-3,4-dihydrochromen-8-yl)propanoic acid (CID 67942088) is 3-(2,2,5,7-tetramethyl-6-phenylmethoxy-3,4-dihydrochromen-8-yl)propanoic acid.
What is the SMILES notation for 3-(2,2,5,7-tetramethyl-6-phenylmethoxy-3,4-dihydrochromen-8-yl)propanoic acid?
The canonical SMILES for 3-(2,2,5,7-tetramethyl-6-phenylmethoxy-3,4-dihydrochromen-8-yl)propanoic acid is Cc1c(CCC(=O)O)c2c(c(C)c1OCc1ccccc1)CCC(C)(C)O2.
What is the InChIKey of 3-(2,2,5,7-tetramethyl-6-phenylmethoxy-3,4-dihydrochromen-8-yl)propanoic acid?
The InChIKey is LPGDZPLPDSJGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28O4/c1-15-18(10-11-20(24)25)22-19(12-13-23(3,4)27-22)16(2)21(15)26-14-17-8-6-5-7-9-17/h5-9H,10-14H2,1-4H3,(H,24,25).
What are the key properties of 3-(2,2,5,7-tetramethyl-6-phenylmethoxy-3,4-dihydrochromen-8-yl)propanoic acid?
3-(2,2,5,7-tetramethyl-6-phenylmethoxy-3,4-dihydrochromen-8-yl)propanoic acid has a molecular weight of 368.47 g/mol, XLogP of 5.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,5,7-tetramethyl-6-phenylmethoxy-3,4-dihydrochromen-8-yl)propanoic acid is sourced from PubChem (CID 67942088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).