5-hydroxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopropane]-2-carboxylic acid

C13H14O3 — CID 115057144

IUPAC5-hydroxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopropane]-2-carboxylic acid
SMILESO=C(O)C1CCc2c(O)cccc2C12CC2
InChIInChI=1S/C13H14O3/c14-11-3-1-2-9-8(11)4-5-10(12(15)16)13(9)6-7-13/h1-3,10,14H,4-7H2,(H,15,16)
InChIKeyNHVNREQGRBQRPG-UHFFFAOYSA-N
MW218.25 g/mol
LogP2.07
Rot. Bonds1

About 5-hydroxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopropane]-2-carboxylic acid

5-hydroxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopropane]-2-carboxylic acid (PubChem CID 115057144) has the molecular formula C13H14O3 and a molecular weight of 218.25 g/mol. Its IUPAC name is 5-hydroxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopropane]-2-carboxylic acid.

Molecular Properties

Compound Name5-hydroxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopropane]-2-carboxylic acid
PubChem CID115057144
Molecular FormulaC13H14O3
Molecular Weight218.25 g/mol
Exact Mass218.09
IUPAC Name5-hydroxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopropane]-2-carboxylic acid
SMILESO=C(O)C1CCc2c(O)cccc2C12CC2
InChIInChI=1S/C13H14O3/c14-11-3-1-2-9-8(11)4-5-10(12(15)16)13(9)6-7-13/h1-3,10,14H,4-7H2,(H,15,16)
InChIKeyNHVNREQGRBQRPG-UHFFFAOYSA-N
XLogP2.07
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopentane]-2-carboxylic acid
CID 115057136
5-methylspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-carboxylic acid
CID 115057106
5-methoxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopentane]-2-carboxylic acid
CID 115057152
7-chlorospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylic acid
CID 105479978
8-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid
CID 105469834
6-bromospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopentane]-2-carboxylic acid
CID 115057075
(1'R,4S)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid
CID 94419963
(4bS,8aS)-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthren-1-ol
CID 11075693
(1S)-5-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
CID 86336246
1-fluoro-1-methyl-2,3-dihydroinden-4-ol
CID 84652361
1-amino-1-methyl-2,3-dihydroinden-4-ol
CID 84716941
2-(8-hydroxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopropane]-2-yl)acetic acid
CID 115057219

Frequently Asked Questions

What is the IUPAC name of 5-hydroxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopropane]-2-carboxylic acid?
The IUPAC name of 5-hydroxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopropane]-2-carboxylic acid (CID 115057144) is 5-hydroxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopropane]-2-carboxylic acid.
What is the SMILES notation for 5-hydroxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopropane]-2-carboxylic acid?
The canonical SMILES for 5-hydroxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopropane]-2-carboxylic acid is O=C(O)C1CCc2c(O)cccc2C12CC2.
What is the InChIKey of 5-hydroxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopropane]-2-carboxylic acid?
The InChIKey is NHVNREQGRBQRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O3/c14-11-3-1-2-9-8(11)4-5-10(12(15)16)13(9)6-7-13/h1-3,10,14H,4-7H2,(H,15,16).
What are the key properties of 5-hydroxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopropane]-2-carboxylic acid?
5-hydroxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopropane]-2-carboxylic acid has a molecular weight of 218.25 g/mol, XLogP of 2.07, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopropane]-2-carboxylic acid is sourced from PubChem (CID 115057144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).