2-(8-hydroxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopropane]-2-yl)acetic acid

C14H16O3 — CID 115057219

IUPAC2-(8-hydroxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopropane]-2-yl)acetic acid
SMILESO=C(O)CC1CCc2cccc(O)c2C12CC2
InChIInChI=1S/C14H16O3/c15-11-3-1-2-9-4-5-10(8-12(16)17)14(6-7-14)13(9)11/h1-3,10,15H,4-8H2,(H,16,17)
InChIKeyMGDYSMYRZCGFIZ-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.46
Rot. Bonds2

About 2-(8-hydroxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopropane]-2-yl)acetic acid

2-(8-hydroxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopropane]-2-yl)acetic acid (PubChem CID 115057219) has the molecular formula C14H16O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-(8-hydroxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopropane]-2-yl)acetic acid.

Molecular Properties

Compound Name2-(8-hydroxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopropane]-2-yl)acetic acid
PubChem CID115057219
Molecular FormulaC14H16O3
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Name2-(8-hydroxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopropane]-2-yl)acetic acid
SMILESO=C(O)CC1CCc2cccc(O)c2C12CC2
InChIInChI=1S/C14H16O3/c15-11-3-1-2-9-4-5-10(8-12(16)17)14(6-7-14)13(9)11/h1-3,10,15H,4-8H2,(H,16,17)
InChIKeyMGDYSMYRZCGFIZ-UHFFFAOYSA-N
XLogP2.46
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

7-(aminomethyl)spiro[6,7-dihydro-5H-naphthalene-8,1'-cyclobutane]-1-ol
CID 115057224
2-(8-chloro-1,1-dimethyl-3,4-dihydro-2H-naphthalen-2-yl)acetic acid
CID 115057193
2-(7-hydroxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-yl)acetic acid
CID 115057296
2-(6-chlorospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-yl)acetic acid
CID 115057332
2-(5-methoxyspiro[3,4-dihydro-2H-naphthalene-1,4'-oxane]-2-yl)acetic acid
CID 115057435
2-(7-methoxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopentane]-2-yl)acetic acid
CID 115057293
1-methyl-2,3-dihydroindene-1,7-diol
CID 175232410
2-[(8S,9S,13R,14S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]acetic acid
CID 175889548
(1S)-7-hydroxy-2,3-dihydro-1H-indene-1-carboxylic acid
CID 124547289
2-(5-bromo-1,1-dimethyl-3,4-dihydro-2H-naphthalen-2-yl)acetic acid
CID 115057405
2-(7-methyl-2,3-dihydro-1H-inden-1-yl)acetic acid
CID 82125541
2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)acetic acid
CID 79740284

Frequently Asked Questions

What is the IUPAC name of 2-(8-hydroxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopropane]-2-yl)acetic acid?
The IUPAC name of 2-(8-hydroxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopropane]-2-yl)acetic acid (CID 115057219) is 2-(8-hydroxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopropane]-2-yl)acetic acid.
What is the SMILES notation for 2-(8-hydroxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopropane]-2-yl)acetic acid?
The canonical SMILES for 2-(8-hydroxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopropane]-2-yl)acetic acid is O=C(O)CC1CCc2cccc(O)c2C12CC2.
What is the InChIKey of 2-(8-hydroxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopropane]-2-yl)acetic acid?
The InChIKey is MGDYSMYRZCGFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O3/c15-11-3-1-2-9-4-5-10(8-12(16)17)14(6-7-14)13(9)11/h1-3,10,15H,4-8H2,(H,16,17).
What are the key properties of 2-(8-hydroxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopropane]-2-yl)acetic acid?
2-(8-hydroxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopropane]-2-yl)acetic acid has a molecular weight of 232.28 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-hydroxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopropane]-2-yl)acetic acid is sourced from PubChem (CID 115057219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).