2-(8-methoxy-5,6-dimethyl-3,4-dihydro-2H-thiochromen-4-yl)acetic acid

C14H18O3S — CID 82625084

IUPAC2-(8-methoxy-5,6-dimethyl-3,4-dihydro-2H-thiochromen-4-yl)acetic acid
SMILESCOc1cc(C)c(C)c2c1SCCC2CC(=O)O
InChIInChI=1S/C14H18O3S/c1-8-6-11(17-3)14-13(9(8)2)10(4-5-18-14)7-12(15)16/h6,10H,4-5,7H2,1-3H3,(H,15,16)
InChIKeyNVMODCMYIPUNFO-UHFFFAOYSA-N
MW266.36 g/mol
LogP3.37
Rot. Bonds3

About 2-(8-methoxy-5,6-dimethyl-3,4-dihydro-2H-thiochromen-4-yl)acetic acid

2-(8-methoxy-5,6-dimethyl-3,4-dihydro-2H-thiochromen-4-yl)acetic acid (PubChem CID 82625084) has the molecular formula C14H18O3S and a molecular weight of 266.36 g/mol. Its IUPAC name is 2-(8-methoxy-5,6-dimethyl-3,4-dihydro-2H-thiochromen-4-yl)acetic acid.

Molecular Properties

Compound Name2-(8-methoxy-5,6-dimethyl-3,4-dihydro-2H-thiochromen-4-yl)acetic acid
PubChem CID82625084
Molecular FormulaC14H18O3S
Molecular Weight266.36 g/mol
Exact Mass266.10
IUPAC Name2-(8-methoxy-5,6-dimethyl-3,4-dihydro-2H-thiochromen-4-yl)acetic acid
SMILESCOc1cc(C)c(C)c2c1SCCC2CC(=O)O
InChIInChI=1S/C14H18O3S/c1-8-6-11(17-3)14-13(9(8)2)10(4-5-18-14)7-12(15)16/h6,10H,4-5,7H2,1-3H3,(H,15,16)
InChIKeyNVMODCMYIPUNFO-UHFFFAOYSA-N
XLogP3.37
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(8-methoxy-5,6-dimethyl-3,4-dihydro-2H-thiochromen-4-yl)acetic 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

9-methoxy-6,7-dimethyl-3,4-dihydro-2H-1-benzothiepin-5-one
CID 96594448
2-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid
CID 39098425
4-(methoxymethyl)-5,8-dimethyl-3,4-dihydro-2H-thiochromene
CID 22118423
2-(7-methyl-2,3-dihydro-1H-inden-1-yl)acetic acid
CID 82125541
2-(8-methoxy-1,5-dimethyl-2-oxo-3,4-dihydroquinolin-4-yl)acetic acid
CID 84639173
3-[(3-chloro-6-methoxy-2,4-dimethylphenyl)methylamino]propanoic acid
CID 98033447
2-(5-methoxy-2,3-dihydro-1-benzothiophen-3-yl)acetic acid
CID 83911058
(3-methoxy-2,5,6-trimethylphenyl)methanol
CID 130125367
2-(2,4-dimethoxy-3,6-dimethylphenyl)acetic acid
CID 84689068
2-cyclopropyl-1-(4-methoxy-3,5-dimethylphenyl)ethanone
CID 83057486
2-(2-methoxy-4,5-dimethylanilino)acetaldehyde
CID 115222617
2-[1-(4-methoxy-3,5-dimethylbenzoyl)piperidin-4-yl]acetic acid
CID 120684670

Frequently Asked Questions

What is the IUPAC name of 2-(8-methoxy-5,6-dimethyl-3,4-dihydro-2H-thiochromen-4-yl)acetic acid?
The IUPAC name of 2-(8-methoxy-5,6-dimethyl-3,4-dihydro-2H-thiochromen-4-yl)acetic acid (CID 82625084) is 2-(8-methoxy-5,6-dimethyl-3,4-dihydro-2H-thiochromen-4-yl)acetic acid.
What is the SMILES notation for 2-(8-methoxy-5,6-dimethyl-3,4-dihydro-2H-thiochromen-4-yl)acetic acid?
The canonical SMILES for 2-(8-methoxy-5,6-dimethyl-3,4-dihydro-2H-thiochromen-4-yl)acetic acid is COc1cc(C)c(C)c2c1SCCC2CC(=O)O.
What is the InChIKey of 2-(8-methoxy-5,6-dimethyl-3,4-dihydro-2H-thiochromen-4-yl)acetic acid?
The InChIKey is NVMODCMYIPUNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3S/c1-8-6-11(17-3)14-13(9(8)2)10(4-5-18-14)7-12(15)16/h6,10H,4-5,7H2,1-3H3,(H,15,16).
What are the key properties of 2-(8-methoxy-5,6-dimethyl-3,4-dihydro-2H-thiochromen-4-yl)acetic acid?
2-(8-methoxy-5,6-dimethyl-3,4-dihydro-2H-thiochromen-4-yl)acetic acid has a molecular weight of 266.36 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methoxy-5,6-dimethyl-3,4-dihydro-2H-thiochromen-4-yl)acetic acid is sourced from PubChem (CID 82625084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).