2-(7-tert-butyl-1,2,3,4-tetrahydronaphthalen-2-yl)acetic acid

C16H22O2 — CID 82384252

IUPAC2-(7-tert-butyl-1,2,3,4-tetrahydronaphthalen-2-yl)acetic acid
SMILESCC(C)(C)c1ccc2c(c1)CC(CC(=O)O)CC2
InChIInChI=1S/C16H22O2/c1-16(2,3)14-7-6-12-5-4-11(9-15(17)18)8-13(12)10-14/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,17,18)
InChIKeyODANWBJXIDPKOE-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.56
Rot. Bonds2

About 2-(7-tert-butyl-1,2,3,4-tetrahydronaphthalen-2-yl)acetic acid

2-(7-tert-butyl-1,2,3,4-tetrahydronaphthalen-2-yl)acetic acid (PubChem CID 82384252) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-(7-tert-butyl-1,2,3,4-tetrahydronaphthalen-2-yl)acetic acid.

Molecular Properties

Compound Name2-(7-tert-butyl-1,2,3,4-tetrahydronaphthalen-2-yl)acetic acid
PubChem CID82384252
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name2-(7-tert-butyl-1,2,3,4-tetrahydronaphthalen-2-yl)acetic acid
SMILESCC(C)(C)c1ccc2c(c1)CC(CC(=O)O)CC2
InChIInChI=1S/C16H22O2/c1-16(2,3)14-7-6-12-5-4-11(9-15(17)18)8-13(12)10-14/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,17,18)
InChIKeyODANWBJXIDPKOE-UHFFFAOYSA-N
XLogP3.56
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-(carboxymethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
CID 22118655
2-[7-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoyl]amino]-1,2,3,4-tetrahydronaphthalen-2-yl]acetic acid
CID 19048788
2-[(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]acetic acid
CID 129362346
3-tert-butylbicyclo[4.2.0]octa-1(6),2,4-triene
CID 15438926
2-(5-ethyl-2,3-dihydro-1H-inden-2-yl)acetic acid
CID 71174187
2-[6-[4-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1,2,3,4-tetrahydronaphthalen-2-yl]acetic acid
CID 118467823
2-(5-fluoro-2,3-dihydro-1H-inden-2-yl)acetic acid
CID 82401388
2-[7-[[4-(diaminomethylideneamino)phenyl]methylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]acetic acid
CID 19048850
2-[7-[[4-(N'-propylcarbamimidoyl)benzoyl]amino]-1,2,3,4-tetrahydronaphthalen-2-yl]acetic acid
CID 10786753
2-methyl-2-[methyl-[2-(1,2,3,4-tetrahydronaphthalen-2-yl)acetyl]amino]propanoic acid
CID 119200234
ethyl 2-(7-amino-1,2,3,4-tetrahydronaphthalen-2-yl)acetate;hydrochloride
CID 70049815
2-(2-tert-butyl-9H-fluoren-9-yl)acetic acid
CID 82578898

Frequently Asked Questions

What is the IUPAC name of 2-(7-tert-butyl-1,2,3,4-tetrahydronaphthalen-2-yl)acetic acid?
The IUPAC name of 2-(7-tert-butyl-1,2,3,4-tetrahydronaphthalen-2-yl)acetic acid (CID 82384252) is 2-(7-tert-butyl-1,2,3,4-tetrahydronaphthalen-2-yl)acetic acid.
What is the SMILES notation for 2-(7-tert-butyl-1,2,3,4-tetrahydronaphthalen-2-yl)acetic acid?
The canonical SMILES for 2-(7-tert-butyl-1,2,3,4-tetrahydronaphthalen-2-yl)acetic acid is CC(C)(C)c1ccc2c(c1)CC(CC(=O)O)CC2.
What is the InChIKey of 2-(7-tert-butyl-1,2,3,4-tetrahydronaphthalen-2-yl)acetic acid?
The InChIKey is ODANWBJXIDPKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2/c1-16(2,3)14-7-6-12-5-4-11(9-15(17)18)8-13(12)10-14/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,17,18).
What are the key properties of 2-(7-tert-butyl-1,2,3,4-tetrahydronaphthalen-2-yl)acetic acid?
2-(7-tert-butyl-1,2,3,4-tetrahydronaphthalen-2-yl)acetic acid has a molecular weight of 246.35 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-tert-butyl-1,2,3,4-tetrahydronaphthalen-2-yl)acetic acid is sourced from PubChem (CID 82384252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).