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

C16H22O2 — CID 84632412

IUPAC2-(2-methyl-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid
SMILESCC(C)c1ccc2c(c1)C(CC(=O)O)C(C)CC2
InChIInChI=1S/C16H22O2/c1-10(2)13-7-6-12-5-4-11(3)14(9-16(17)18)15(12)8-13/h6-8,10-11,14H,4-5,9H2,1-3H3,(H,17,18)
InChIKeyVCFNYHLSENRPOW-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.95
Rot. Bonds3

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

2-(2-methyl-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid (PubChem CID 84632412) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-(2-methyl-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid.

Molecular Properties

Compound Name2-(2-methyl-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid
PubChem CID84632412
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name2-(2-methyl-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid
SMILESCC(C)c1ccc2c(c1)C(CC(=O)O)C(C)CC2
InChIInChI=1S/C16H22O2/c1-10(2)13-7-6-12-5-4-11(3)14(9-16(17)18)15(12)8-13/h6-8,10-11,14H,4-5,9H2,1-3H3,(H,17,18)
InChIKeyVCFNYHLSENRPOW-UHFFFAOYSA-N
XLogP3.95
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid
CID 84639455
2-(6-propan-2-yl-3,4-dihydro-2H-chromen-4-yl)acetic acid
CID 82083096
4-[[(1R)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoylamino]butanoic acid
CID 122008277
4-[[(1S)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoylamino]butanoic acid
CID 122008259
2-(6-propan-2-yl-2,3-dihydro-1H-inden-1-yl)ethanamine
CID 82076845
(2E)-2-(2-methyl-7-propan-2-yl-3,4-dihydro-2H-naphthalen-1-ylidene)acetic acid
CID 84631320
8-propan-2-yl-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalene
CID 58257789
N-[[4-(dimethylamino)phenyl]methyl]-7-propan-2-yl-N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 10162195
4-[[(1S)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]amino]cyclohexane-1-carboxylic acid
CID 122032353
N-methyl-2-(6-propan-2-yl-3,4-dihydro-2H-chromen-4-yl)acetamide
CID 82086564
(2S,4S)-2-methyl-N-[(1R)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
CID 120640719
2-[3-(4-propan-2-ylphenyl)cyclopentyl]acetic acid
CID 82295362

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid?
The IUPAC name of 2-(2-methyl-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid (CID 84632412) is 2-(2-methyl-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid.
What is the SMILES notation for 2-(2-methyl-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid?
The canonical SMILES for 2-(2-methyl-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid is CC(C)c1ccc2c(c1)C(CC(=O)O)C(C)CC2.
What is the InChIKey of 2-(2-methyl-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid?
The InChIKey is VCFNYHLSENRPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2/c1-10(2)13-7-6-12-5-4-11(3)14(9-16(17)18)15(12)8-13/h6-8,10-11,14H,4-5,9H2,1-3H3,(H,17,18).
What are the key properties of 2-(2-methyl-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid?
2-(2-methyl-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid has a molecular weight of 246.35 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid is sourced from PubChem (CID 84632412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).