2-(1,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid

C15H20O4 — CID 117415319

IUPAC2-(1,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid
SMILESCOc1cc(C(C)C(=O)O)c(OC)c2c1CCCC2
InChIInChI=1S/C15H20O4/c1-9(15(16)17)12-8-13(18-2)10-6-4-5-7-11(10)14(12)19-3/h8-9H,4-7H2,1-3H3,(H,16,17)
InChIKeyHDYWHWDXSHYILX-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.77
Rot. Bonds4

About 2-(1,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid

2-(1,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid (PubChem CID 117415319) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-(1,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid.

Molecular Properties

Compound Name2-(1,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid
PubChem CID117415319
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name2-(1,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid
SMILESCOc1cc(C(C)C(=O)O)c(OC)c2c1CCCC2
InChIInChI=1S/C15H20O4/c1-9(15(16)17)12-8-13(18-2)10-6-4-5-7-11(10)14(12)19-3/h8-9H,4-7H2,1-3H3,(H,16,17)
InChIKeyHDYWHWDXSHYILX-UHFFFAOYSA-N
XLogP2.77
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(1,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-hydroxyacetate
CID 117449915
2-(4-chloro-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)propanoic acid
CID 117454483
3-(1-carboxyethyl)-4,5-dimethoxybenzoic acid
CID 117388426
2-(7-chloro-6-methoxy-2,3-dihydro-1H-inden-5-yl)propanoic acid
CID 117390078
2-(7-bromo-6-methoxy-2,3-dihydro-1H-inden-5-yl)propanoic acid
CID 117481875
2-amino-3-(1,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid
CID 117447869
1-(1,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-(methylamino)ethanol
CID 117417580
2-(1,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-ol
CID 117379543
2-(2-bromo-4,5-dimethoxy-3-methylphenyl)propanoic acid
CID 154304830
1-(4,7-dimethoxy-2,3-dihydro-1H-inden-5-yl)-2-(methylamino)ethanol
CID 117381815
2-(2,5-dimethoxy-4-methylsulfanylphenyl)propanoic acid
CID 117394352
2-(3-bromo-2,4-dimethoxyphenyl)propanoic acid
CID 84814609

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid?
The IUPAC name of 2-(1,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid (CID 117415319) is 2-(1,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid.
What is the SMILES notation for 2-(1,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid?
The canonical SMILES for 2-(1,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid is COc1cc(C(C)C(=O)O)c(OC)c2c1CCCC2.
What is the InChIKey of 2-(1,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid?
The InChIKey is HDYWHWDXSHYILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-9(15(16)17)12-8-13(18-2)10-6-4-5-7-11(10)14(12)19-3/h8-9H,4-7H2,1-3H3,(H,16,17).
What are the key properties of 2-(1,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid?
2-(1,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid has a molecular weight of 264.32 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid is sourced from PubChem (CID 117415319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).