1-tert-butyl-7-methyl-3,4-dihydronaphthalene-2-carboxylic acid

C16H20O2 — CID 115057846

IUPAC1-tert-butyl-7-methyl-3,4-dihydronaphthalene-2-carboxylic acid
SMILESCc1ccc2c(c1)C(C(C)(C)C)=C(C(=O)O)CC2
InChIInChI=1S/C16H20O2/c1-10-5-6-11-7-8-12(15(17)18)14(13(11)9-10)16(2,3)4/h5-6,9H,7-8H2,1-4H3,(H,17,18)
InChIKeyQIECILQBMVURGF-UHFFFAOYSA-N
MW244.33 g/mol
LogP3.83
Rot. Bonds1

About 1-tert-butyl-7-methyl-3,4-dihydronaphthalene-2-carboxylic acid

1-tert-butyl-7-methyl-3,4-dihydronaphthalene-2-carboxylic acid (PubChem CID 115057846) has the molecular formula C16H20O2 and a molecular weight of 244.33 g/mol. Its IUPAC name is 1-tert-butyl-7-methyl-3,4-dihydronaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name1-tert-butyl-7-methyl-3,4-dihydronaphthalene-2-carboxylic acid
PubChem CID115057846
Molecular FormulaC16H20O2
Molecular Weight244.33 g/mol
Exact Mass244.15
IUPAC Name1-tert-butyl-7-methyl-3,4-dihydronaphthalene-2-carboxylic acid
SMILESCc1ccc2c(c1)C(C(C)(C)C)=C(C(=O)O)CC2
InChIInChI=1S/C16H20O2/c1-10-5-6-11-7-8-12(15(17)18)14(13(11)9-10)16(2,3)4/h5-6,9H,7-8H2,1-4H3,(H,17,18)
InChIKeyQIECILQBMVURGF-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-3,4-dihydronaphthalene-2-carboxylic acid
CID 115057843
1-tert-butyl-5-methyl-3,4-dihydronaphthalene-2-carboxylic acid
CID 115057879
7-methyl-3,4-dihydronaphthalene-1-carboxylic acid
CID 82075337
5,14-dimethyltricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-one
CID 10537791
(1-fluoro-7-methyl-3,4-dihydronaphthalen-2-yl)-phenylmethanone
CID 102255483
(7E)-7-[(4-methylphenyl)methylidene]-8-oxo-5,6-dihydronaphthalene-2-carboxylic acid
CID 163214099
7-tert-butyl-3,4-dihydronaphthalene-1-carboxylic acid
CID 82081831
N-(6-methyl-2,3-dihydroinden-1-ylidene)hydroxylamine
CID 86608367
cycloocta-1,5-diene-1,2,5,6-tetracarboxylic acid
CID 54208574
8-(2,4-dimethylphenyl)-5,6-dihydronaphthalene-2-carboxylic acid
CID 58407165
1-amino-7-methyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 83908725
2-hydroxy-2-methyl-1-(6-methyl-9H-fluoren-3-yl)propan-1-one
CID 177311617

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-7-methyl-3,4-dihydronaphthalene-2-carboxylic acid?
The IUPAC name of 1-tert-butyl-7-methyl-3,4-dihydronaphthalene-2-carboxylic acid (CID 115057846) is 1-tert-butyl-7-methyl-3,4-dihydronaphthalene-2-carboxylic acid.
What is the SMILES notation for 1-tert-butyl-7-methyl-3,4-dihydronaphthalene-2-carboxylic acid?
The canonical SMILES for 1-tert-butyl-7-methyl-3,4-dihydronaphthalene-2-carboxylic acid is Cc1ccc2c(c1)C(C(C)(C)C)=C(C(=O)O)CC2.
What is the InChIKey of 1-tert-butyl-7-methyl-3,4-dihydronaphthalene-2-carboxylic acid?
The InChIKey is QIECILQBMVURGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O2/c1-10-5-6-11-7-8-12(15(17)18)14(13(11)9-10)16(2,3)4/h5-6,9H,7-8H2,1-4H3,(H,17,18).
What are the key properties of 1-tert-butyl-7-methyl-3,4-dihydronaphthalene-2-carboxylic acid?
1-tert-butyl-7-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-7-methyl-3,4-dihydronaphthalene-2-carboxylic acid is sourced from PubChem (CID 115057846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).