2-(6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid

C15H20O4 — CID 84639455

IUPAC2-(6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid
SMILESCOc1cc2c(cc1OC)C(CC(=O)O)C(C)CC2
InChIInChI=1S/C15H20O4/c1-9-4-5-10-6-13(18-2)14(19-3)7-12(10)11(9)8-15(16)17/h6-7,9,11H,4-5,8H2,1-3H3,(H,16,17)
InChIKeyDQLJLVCISRGNCP-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.84
Rot. Bonds4

About 2-(6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid

2-(6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid (PubChem CID 84639455) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-(6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid.

Molecular Properties

Compound Name2-(6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid
PubChem CID84639455
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name2-(6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid
SMILESCOc1cc2c(cc1OC)C(CC(=O)O)C(C)CC2
InChIInChI=1S/C15H20O4/c1-9-4-5-10-6-13(18-2)14(19-3)7-12(10)11(9)8-15(16)17/h6-7,9,11H,4-5,8H2,1-3H3,(H,16,17)
InChIKeyDQLJLVCISRGNCP-UHFFFAOYSA-N
XLogP2.84
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 ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid
CID 39098425
2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-N-methylacetamide
CID 25147351
ethyl 3-methoxy-5,6-dimethyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 118900132
2-[(1R,2R,4S)-4-[2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-1-hydroxyprop-1-enyl]-2,4-dihydroxycyclopentyl]acetic acid
CID 70610290
2-(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetic acid
CID 3130309
2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-1-pyrrolidin-1-ylethanone
CID 25146025
2-[2-(cyclooctanecarbonyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid
CID 120538376
2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-1-piperidin-1-ylethanone
CID 25145905
2-[2-(2-cycloheptylacetyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid
CID 120538401
2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-N-methyl-N-phenylacetamide
CID 110649611
1-chloro-5,6-dimethoxy-2,3-dihydro-1H-indene
CID 82024117
tert-butyl 2-[(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)amino]acetate;oxalic acid
CID 13132300

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid?
The IUPAC name of 2-(6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid (CID 84639455) is 2-(6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid.
What is the SMILES notation for 2-(6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid?
The canonical SMILES for 2-(6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid is COc1cc2c(cc1OC)C(CC(=O)O)C(C)CC2.
What is the InChIKey of 2-(6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid?
The InChIKey is DQLJLVCISRGNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-9-4-5-10-6-13(18-2)14(19-3)7-12(10)11(9)8-15(16)17/h6-7,9,11H,4-5,8H2,1-3H3,(H,16,17).
What are the key properties of 2-(6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid?
2-(6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid has a molecular weight of 264.32 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid is sourced from PubChem (CID 84639455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).