4-(6-methoxy-2,3-dihydro-1H-inden-5-yl)butanoic acid

C14H18O3 — CID 117340504

IUPAC4-(6-methoxy-2,3-dihydro-1H-inden-5-yl)butanoic acid
SMILESCOc1cc2c(cc1CCCC(=O)O)CCC2
InChIInChI=1S/C14H18O3/c1-17-13-9-11-5-2-4-10(11)8-12(13)6-3-7-14(15)16/h8-9H,2-7H2,1H3,(H,15,16)
InChIKeyPOGWAMPHMZXYFR-UHFFFAOYSA-N
MW234.29 g/mol
LogP2.59
Rot. Bonds5

About 4-(6-methoxy-2,3-dihydro-1H-inden-5-yl)butanoic acid

4-(6-methoxy-2,3-dihydro-1H-inden-5-yl)butanoic acid (PubChem CID 117340504) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is 4-(6-methoxy-2,3-dihydro-1H-inden-5-yl)butanoic acid.

Molecular Properties

Compound Name4-(6-methoxy-2,3-dihydro-1H-inden-5-yl)butanoic acid
PubChem CID117340504
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Name4-(6-methoxy-2,3-dihydro-1H-inden-5-yl)butanoic acid
SMILESCOc1cc2c(cc1CCCC(=O)O)CCC2
InChIInChI=1S/C14H18O3/c1-17-13-9-11-5-2-4-10(11)8-12(13)6-3-7-14(15)16/h8-9H,2-7H2,1H3,(H,15,16)
InChIKeyPOGWAMPHMZXYFR-UHFFFAOYSA-N
XLogP2.59
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(6-methoxy-2,3-dihydro-1H-inden-5-yl)propan-1-ol
CID 117294969
4-(2,5-dimethoxy-4-piperidin-1-ylphenyl)butanoic acid
CID 117492352
4-[4-(dimethylamino)-2,5-dimethoxyphenyl]butanoic acid
CID 117421697
2-(6-methoxy-2,3-dihydro-1H-inden-5-yl)ethanesulfonyl chloride
CID 84713994
4-(5-methoxy-1,3-benzoxathiol-6-yl)butanoic acid
CID 117389021
4-(5-chloro-2-ethyl-4-methoxyphenyl)butanoic acid
CID 117395261
4-(2-amino-6-ethoxy-2,3-dihydro-1H-inden-5-yl)butanoic acid
CID 166126162
4-(2-methoxy-5-methylsulfonylphenyl)butanoic acid
CID 117433758
N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-4-(1H-pyrazol-4-yl)butanamide
CID 72864598
4-[2-methoxy-5-(trifluoromethyl)phenyl]butanoic acid
CID 82262809
6-methoxy-2,3-dihydro-1H-indene-5-carboxylic acid;hydrochloride
CID 67783530
4-(2-bromo-5-fluoro-3-methoxyphenyl)butanoic acid
CID 117470028

Frequently Asked Questions

What is the IUPAC name of 4-(6-methoxy-2,3-dihydro-1H-inden-5-yl)butanoic acid?
The IUPAC name of 4-(6-methoxy-2,3-dihydro-1H-inden-5-yl)butanoic acid (CID 117340504) is 4-(6-methoxy-2,3-dihydro-1H-inden-5-yl)butanoic acid.
What is the SMILES notation for 4-(6-methoxy-2,3-dihydro-1H-inden-5-yl)butanoic acid?
The canonical SMILES for 4-(6-methoxy-2,3-dihydro-1H-inden-5-yl)butanoic acid is COc1cc2c(cc1CCCC(=O)O)CCC2.
What is the InChIKey of 4-(6-methoxy-2,3-dihydro-1H-inden-5-yl)butanoic acid?
The InChIKey is POGWAMPHMZXYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-17-13-9-11-5-2-4-10(11)8-12(13)6-3-7-14(15)16/h8-9H,2-7H2,1H3,(H,15,16).
What are the key properties of 4-(6-methoxy-2,3-dihydro-1H-inden-5-yl)butanoic acid?
4-(6-methoxy-2,3-dihydro-1H-inden-5-yl)butanoic acid has a molecular weight of 234.29 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methoxy-2,3-dihydro-1H-inden-5-yl)butanoic acid is sourced from PubChem (CID 117340504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).