2-(7-hydroxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-yl)acetic acid

C17H22O3 — CID 115057296

IUPAC2-(7-hydroxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-yl)acetic acid
SMILESO=C(O)CC1CCc2ccc(O)cc2C12CCCCC2
InChIInChI=1S/C17H22O3/c18-14-7-5-12-4-6-13(10-16(19)20)17(15(12)11-14)8-2-1-3-9-17/h5,7,11,13,18H,1-4,6,8-10H2,(H,19,20)
InChIKeyMKMKAIWWBUWASI-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.63
Rot. Bonds2

About 2-(7-hydroxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-yl)acetic acid

2-(7-hydroxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-yl)acetic acid (PubChem CID 115057296) has the molecular formula C17H22O3 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-(7-hydroxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-yl)acetic acid.

Molecular Properties

Compound Name2-(7-hydroxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-yl)acetic acid
PubChem CID115057296
Molecular FormulaC17H22O3
Molecular Weight274.36 g/mol
Exact Mass274.16
IUPAC Name2-(7-hydroxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-yl)acetic acid
SMILESO=C(O)CC1CCc2ccc(O)cc2C12CCCCC2
InChIInChI=1S/C17H22O3/c18-14-7-5-12-4-6-13(10-16(19)20)17(15(12)11-14)8-2-1-3-9-17/h5,7,11,13,18H,1-4,6,8-10H2,(H,19,20)
InChIKeyMKMKAIWWBUWASI-UHFFFAOYSA-N
XLogP3.63
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(7-methoxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopentane]-2-yl)acetic acid
CID 115057293
2-(6-chlorospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-yl)acetic acid
CID 115057332
2-(8-hydroxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopropane]-2-yl)acetic acid
CID 115057219
(2'S,5R)-2'-methylspiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,1'-cyclopropane]-3-ol
CID 58380254
6-aminospiro[7,8-dihydro-6H-naphthalene-5,1'-cyclopentane]-2-ol
CID 115057087
2-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid
CID 68629787
methyl (1'S)-6-hydroxyspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclobutane]-1'-carboxylate
CID 143977583
methyl (1'S,5R)-3-hydroxyspiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,2'-cyclopropane]-1'-carboxylate
CID 143977595
(1S,4aS,10aR)-6-hydroxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate
CID 11870257
(1S,4aR,10aS)-6-hydroxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate
CID 6919428
(1R,4aS,10aS)-6-hydroxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate
CID 7067256
2-(7-hydroxy-1,2,3,4-tetrahydroquinolin-2-yl)acetic acid
CID 105460129

Frequently Asked Questions

What is the IUPAC name of 2-(7-hydroxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-yl)acetic acid?
The IUPAC name of 2-(7-hydroxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-yl)acetic acid (CID 115057296) is 2-(7-hydroxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-yl)acetic acid.
What is the SMILES notation for 2-(7-hydroxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-yl)acetic acid?
The canonical SMILES for 2-(7-hydroxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-yl)acetic acid is O=C(O)CC1CCc2ccc(O)cc2C12CCCCC2.
What is the InChIKey of 2-(7-hydroxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-yl)acetic acid?
The InChIKey is MKMKAIWWBUWASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O3/c18-14-7-5-12-4-6-13(10-16(19)20)17(15(12)11-14)8-2-1-3-9-17/h5,7,11,13,18H,1-4,6,8-10H2,(H,19,20).
What are the key properties of 2-(7-hydroxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-yl)acetic acid?
2-(7-hydroxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-yl)acetic acid has a molecular weight of 274.36 g/mol, XLogP of 3.63, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-hydroxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-yl)acetic acid is sourced from PubChem (CID 115057296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).