1-tert-butyl-5-methyl-3,4-dihydronaphthalene-2-carboxylic acid

C16H20O2 — CID 115057879

IUPAC1-tert-butyl-5-methyl-3,4-dihydronaphthalene-2-carboxylic acid
SMILESCc1cccc2c1CCC(C(=O)O)=C2C(C)(C)C
InChIInChI=1S/C16H20O2/c1-10-6-5-7-12-11(10)8-9-13(15(17)18)14(12)16(2,3)4/h5-7H,8-9H2,1-4H3,(H,17,18)
InChIKeyPFBUTZFHLFFDMU-UHFFFAOYSA-N
MW244.33 g/mol
LogP3.83
Rot. Bonds1

About 1-tert-butyl-5-methyl-3,4-dihydronaphthalene-2-carboxylic acid

1-tert-butyl-5-methyl-3,4-dihydronaphthalene-2-carboxylic acid (PubChem CID 115057879) has the molecular formula C16H20O2 and a molecular weight of 244.33 g/mol. Its IUPAC name is 1-tert-butyl-5-methyl-3,4-dihydronaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name1-tert-butyl-5-methyl-3,4-dihydronaphthalene-2-carboxylic acid
PubChem CID115057879
Molecular FormulaC16H20O2
Molecular Weight244.33 g/mol
Exact Mass244.15
IUPAC Name1-tert-butyl-5-methyl-3,4-dihydronaphthalene-2-carboxylic acid
SMILESCc1cccc2c1CCC(C(=O)O)=C2C(C)(C)C
InChIInChI=1S/C16H20O2/c1-10-6-5-7-12-11(10)8-9-13(15(17)18)14(12)16(2,3)4/h5-7H,8-9H2,1-4H3,(H,17,18)
InChIKeyPFBUTZFHLFFDMU-UHFFFAOYSA-N
XLogP3.83
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-tert-butyl-5-fluoro-3,4-dihydronaphthalene-2-carboxylic acid
CID 115057882
1-tert-butyl-3,4-dihydronaphthalene-2-carboxylic acid
CID 115057843
1,8-dimethyl-9,10-dihydrophenanthrene
CID 142741487
1-tert-butyl-7-methyl-3,4-dihydronaphthalene-2-carboxylic acid
CID 115057846
(2E)-2-(4-methyl-2,3-dihydroinden-1-ylidene)acetic acid
CID 22724617
2-methyl-2-(5-methyl-3,4-dihydronaphthalen-1-yl)propanoic acid
CID 105488183
2-(5-methyl-1-oxo-3,4-dihydroisoquinolin-2-yl)acetic acid
CID 82127421
5-methyl-3,4-dihydronaphthalene-2-carboxylic acid
CID 83829067
cycloocta-1,5-diene-1,2,5,6-tetracarboxylic acid
CID 54208574
1-(2-methoxyphenyl)-5,7-dimethyl-3,4-dihydronaphthalene-2-carboxylic acid
CID 102022275
1,5-dimethyl-3,4-dihydronaphthalene-2-carbaldehyde
CID 115057517
2-(2-aminoethyl)-6-methyl-4,5-dihydro-3H-2-benzazepin-1-one
CID 115030886

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5-methyl-3,4-dihydronaphthalene-2-carboxylic acid?
The IUPAC name of 1-tert-butyl-5-methyl-3,4-dihydronaphthalene-2-carboxylic acid (CID 115057879) is 1-tert-butyl-5-methyl-3,4-dihydronaphthalene-2-carboxylic acid.
What is the SMILES notation for 1-tert-butyl-5-methyl-3,4-dihydronaphthalene-2-carboxylic acid?
The canonical SMILES for 1-tert-butyl-5-methyl-3,4-dihydronaphthalene-2-carboxylic acid is Cc1cccc2c1CCC(C(=O)O)=C2C(C)(C)C.
What is the InChIKey of 1-tert-butyl-5-methyl-3,4-dihydronaphthalene-2-carboxylic acid?
The InChIKey is PFBUTZFHLFFDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O2/c1-10-6-5-7-12-11(10)8-9-13(15(17)18)14(12)16(2,3)4/h5-7H,8-9H2,1-4H3,(H,17,18).
What are the key properties of 1-tert-butyl-5-methyl-3,4-dihydronaphthalene-2-carboxylic acid?
1-tert-butyl-5-methyl-3,4-dihydronaphthalene-2-carboxylic acid has a molecular weight of 244.33 g/mol, XLogP of 3.83, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5-methyl-3,4-dihydronaphthalene-2-carboxylic acid is sourced from PubChem (CID 115057879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).