8-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid

C14H16O2 — CID 105469834

IUPAC8-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid
SMILESCc1cccc2c1CCCC21CC1C(=O)O
InChIInChI=1S/C14H16O2/c1-9-4-2-6-11-10(9)5-3-7-14(11)8-12(14)13(15)16/h2,4,6,12H,3,5,7-8H2,1H3,(H,15,16)
InChIKeyOEBOFNBDPJFBAH-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.67
Rot. Bonds1

About 8-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid

8-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid (PubChem CID 105469834) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is 8-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid.

Molecular Properties

Compound Name8-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid
PubChem CID105469834
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name8-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid
SMILESCc1cccc2c1CCCC21CC1C(=O)O
InChIInChI=1S/C14H16O2/c1-9-4-2-6-11-10(9)5-3-7-14(11)8-12(14)13(15)16/h2,4,6,12H,3,5,7-8H2,1H3,(H,15,16)
InChIKeyOEBOFNBDPJFBAH-UHFFFAOYSA-N
XLogP2.67
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-methylspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-carboxylic acid
CID 115057106
(1'R,4S)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid
CID 94419963
8-methylspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylic acid
CID 105472206
7-chlorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylic acid
CID 105479978
1-hydroxy-5-methyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 83908872
1-(hydroxymethyl)-5-methyl-3,4-dihydro-2H-naphthalen-1-ol
CID 105446199
5-methoxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopentane]-2-carboxylic acid
CID 115057152
5-bromospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopentane]-2-carboxylic acid
CID 115057136
5-hydroxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopropane]-2-carboxylic acid
CID 115057144
1-methylspiro[2,3-dihydroquinoline-4,2'-cyclopropane]-1'-carboxylic acid
CID 84682733
4-fluoro-8-methyl-4-(trifluoromethyl)-2,3-dihydro-1H-naphthalene
CID 84736314
(1'S,4R)-N-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide
CID 97218615

Frequently Asked Questions

What is the IUPAC name of 8-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid?
The IUPAC name of 8-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid (CID 105469834) is 8-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid.
What is the SMILES notation for 8-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid?
The canonical SMILES for 8-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid is Cc1cccc2c1CCCC21CC1C(=O)O.
What is the InChIKey of 8-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid?
The InChIKey is OEBOFNBDPJFBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2/c1-9-4-2-6-11-10(9)5-3-7-14(11)8-12(14)13(15)16/h2,4,6,12H,3,5,7-8H2,1H3,(H,15,16).
What are the key properties of 8-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid?
8-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid has a molecular weight of 216.28 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid is sourced from PubChem (CID 105469834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).