(1'R,3R)-6-(2-phenylethoxy)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylic acid

C20H20O3 — CID 58380060

IUPAC(1'R,3R)-6-(2-phenylethoxy)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@]12CCc1cc(OCCc3ccccc3)ccc12
InChIInChI=1S/C20H20O3/c21-19(22)18-13-20(18)10-8-15-12-16(6-7-17(15)20)23-11-9-14-4-2-1-3-5-14/h1-7,12,18H,8-11,13H2,(H,21,22)/t18-,20-/m0/s1
InChIKeyVZKSUGDYJHUNRJ-ICSRJNTNSA-N
MW308.38 g/mol
LogP3.60
Rot. Bonds5

About (1'R,3R)-6-(2-phenylethoxy)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylic acid

(1'R,3R)-6-(2-phenylethoxy)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylic acid (PubChem CID 58380060) has the molecular formula C20H20O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is (1'R,3R)-6-(2-phenylethoxy)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylic acid.

Molecular Properties

Compound Name(1'R,3R)-6-(2-phenylethoxy)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylic acid
PubChem CID58380060
Molecular FormulaC20H20O3
Molecular Weight308.38 g/mol
Exact Mass308.14
IUPAC Name(1'R,3R)-6-(2-phenylethoxy)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@]12CCc1cc(OCCc3ccccc3)ccc12
InChIInChI=1S/C20H20O3/c21-19(22)18-13-20(18)10-8-15-12-16(6-7-17(15)20)23-11-9-14-4-2-1-3-5-14/h1-7,12,18H,8-11,13H2,(H,21,22)/t18-,20-/m0/s1
InChIKeyVZKSUGDYJHUNRJ-ICSRJNTNSA-N
XLogP3.60
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1'R,3R)-6-(2-phenylethoxy)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methoxy]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylic acid
CID 76771717
(1'R,4S)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid
CID 94419963
[3'-methyl-5-(2-phenylethoxy)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methanediol
CID 90839426
methyl 7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylate
CID 122463537
3-(2-phenylethoxy)benzamide
CID 17135006
3-phenyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]propanamide
CID 113101565
cis-(1S,2R)-1-[(3-phenylmethoxyphenyl)methyl]cyclopropane-1,2-dicarboxylic acid
CID 59978540
4-[[3-(2-phenylethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122092860
2-phenyl-4-(2-phenylethoxy)phenol
CID 57032824
5-(3-phenylpropoxy)-2,3-dihydroinden-1-one
CID 104986122
sodium;methyl 1-[[5-(2-phenylethoxy)spiro[1,3-dihydroindene-2,3'-azetidine]-1'-yl]methyl]cyclopropane-1-carboxylate;1-[[5-(2-phenylethoxy)spiro[1,3-dihydroindene-2,3'-azetidine]-1'-yl]methyl]cyclopropane-1-carboxylic acid;hydroxide
CID 162060564
6-[3-(2-phenylethoxy)phenyl]hexanoic acid
CID 139921744

Frequently Asked Questions

What is the IUPAC name of (1'R,3R)-6-(2-phenylethoxy)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylic acid?
The IUPAC name of (1'R,3R)-6-(2-phenylethoxy)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylic acid (CID 58380060) is (1'R,3R)-6-(2-phenylethoxy)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylic acid.
What is the SMILES notation for (1'R,3R)-6-(2-phenylethoxy)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylic acid?
The canonical SMILES for (1'R,3R)-6-(2-phenylethoxy)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylic acid is O=C(O)[C@@H]1C[C@]12CCc1cc(OCCc3ccccc3)ccc12.
What is the InChIKey of (1'R,3R)-6-(2-phenylethoxy)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylic acid?
The InChIKey is VZKSUGDYJHUNRJ-ICSRJNTNSA-N. The full InChI is InChI=1S/C20H20O3/c21-19(22)18-13-20(18)10-8-15-12-16(6-7-17(15)20)23-11-9-14-4-2-1-3-5-14/h1-7,12,18H,8-11,13H2,(H,21,22)/t18-,20-/m0/s1.
What are the key properties of (1'R,3R)-6-(2-phenylethoxy)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylic acid?
(1'R,3R)-6-(2-phenylethoxy)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylic acid has a molecular weight of 308.38 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1'R,3R)-6-(2-phenylethoxy)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylic acid is sourced from PubChem (CID 58380060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).