2-(6-chlorospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-yl)acetic acid

C17H21ClO2 — CID 115057332

IUPAC2-(6-chlorospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-yl)acetic acid
SMILESO=C(O)CC1CCc2cc(Cl)ccc2C12CCCCC2
InChIInChI=1S/C17H21ClO2/c18-14-6-7-15-12(10-14)4-5-13(11-16(19)20)17(15)8-2-1-3-9-17/h6-7,10,13H,1-5,8-9,11H2,(H,19,20)
InChIKeyWDELLZUVRYIVQR-UHFFFAOYSA-N
MW292.81 g/mol
LogP4.58
Rot. Bonds2

About 2-(6-chlorospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-yl)acetic acid

2-(6-chlorospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-yl)acetic acid (PubChem CID 115057332) has the molecular formula C17H21ClO2 and a molecular weight of 292.81 g/mol. Its IUPAC name is 2-(6-chlorospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-yl)acetic acid.

Molecular Properties

Compound Name2-(6-chlorospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-yl)acetic acid
PubChem CID115057332
Molecular FormulaC17H21ClO2
Molecular Weight292.81 g/mol
Exact Mass292.12
IUPAC Name2-(6-chlorospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-yl)acetic acid
SMILESO=C(O)CC1CCc2cc(Cl)ccc2C12CCCCC2
InChIInChI=1S/C17H21ClO2/c18-14-6-7-15-12(10-14)4-5-13(11-16(19)20)17(15)8-2-1-3-9-17/h6-7,10,13H,1-5,8-9,11H2,(H,19,20)
InChIKeyWDELLZUVRYIVQR-UHFFFAOYSA-N
XLogP4.58
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(7-hydroxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-yl)acetic acid
CID 115057296
2-(7-methoxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopentane]-2-yl)acetic acid
CID 115057293
2-(8-hydroxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopropane]-2-yl)acetic acid
CID 115057219
(6-fluorospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-yl)methanamine
CID 115057321
(6-bromospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclobutane]-2-yl)methanamine
CID 115057341
tert-butyl N-(7-chlorospiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl)carbamate
CID 122463522
1-amino-6-chloro-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 83911212
6-bromospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopentane]-2-carboxylic acid
CID 115057075
2-(7-chloro-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)acetic acid
CID 84634747
2-(7-chloro-1,2,3,4-tetrahydroisoquinolin-3-yl)acetic acid
CID 105483472
2-[1-(2-carboxy-4-chlorophenyl)cyclohexyl]-5-chlorobenzoic acid
CID 139725117
bis(carbon dioxide);[(1R)-6-chloro-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]methanol;[(1S)-6-chloro-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]methanol
CID 161269898

Frequently Asked Questions

What is the IUPAC name of 2-(6-chlorospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-yl)acetic acid?
The IUPAC name of 2-(6-chlorospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-yl)acetic acid (CID 115057332) is 2-(6-chlorospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-yl)acetic acid.
What is the SMILES notation for 2-(6-chlorospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-yl)acetic acid?
The canonical SMILES for 2-(6-chlorospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-yl)acetic acid is O=C(O)CC1CCc2cc(Cl)ccc2C12CCCCC2.
What is the InChIKey of 2-(6-chlorospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-yl)acetic acid?
The InChIKey is WDELLZUVRYIVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClO2/c18-14-6-7-15-12(10-14)4-5-13(11-16(19)20)17(15)8-2-1-3-9-17/h6-7,10,13H,1-5,8-9,11H2,(H,19,20).
What are the key properties of 2-(6-chlorospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-yl)acetic acid?
2-(6-chlorospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-yl)acetic acid has a molecular weight of 292.81 g/mol, XLogP of 4.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chlorospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-yl)acetic acid is sourced from PubChem (CID 115057332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).