1-phenyl-2-spiro[1,3-benzodioxole-2,1'-cyclohexane]-4-ylethanol

C20H22O3 — CID 14809017

IUPAC1-phenyl-2-spiro[1,3-benzodioxole-2,1'-cyclohexane]-4-ylethanol
SMILESOC(Cc1cccc2c1OC1(CCCCC1)O2)c1ccccc1
InChIInChI=1S/C20H22O3/c21-17(15-8-3-1-4-9-15)14-16-10-7-11-18-19(16)23-20(22-18)12-5-2-6-13-20/h1,3-4,7-11,17,21H,2,5-6,12-14H2
InChIKeyIWRBCGARQRDKRP-UHFFFAOYSA-N
MW310.39 g/mol
LogP4.39
Rot. Bonds3

About 1-phenyl-2-spiro[1,3-benzodioxole-2,1'-cyclohexane]-4-ylethanol

1-phenyl-2-spiro[1,3-benzodioxole-2,1'-cyclohexane]-4-ylethanol (PubChem CID 14809017) has the molecular formula C20H22O3 and a molecular weight of 310.39 g/mol. Its IUPAC name is 1-phenyl-2-spiro[1,3-benzodioxole-2,1'-cyclohexane]-4-ylethanol.

Molecular Properties

Compound Name1-phenyl-2-spiro[1,3-benzodioxole-2,1'-cyclohexane]-4-ylethanol
PubChem CID14809017
Molecular FormulaC20H22O3
Molecular Weight310.39 g/mol
Exact Mass310.16
IUPAC Name1-phenyl-2-spiro[1,3-benzodioxole-2,1'-cyclohexane]-4-ylethanol
SMILESOC(Cc1cccc2c1OC1(CCCCC1)O2)c1ccccc1
InChIInChI=1S/C20H22O3/c21-17(15-8-3-1-4-9-15)14-16-10-7-11-18-19(16)23-20(22-18)12-5-2-6-13-20/h1,3-4,7-11,17,21H,2,5-6,12-14H2
InChIKeyIWRBCGARQRDKRP-UHFFFAOYSA-N
XLogP4.39
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tri(spiro[1,3-benzodioxole-2,1'-cyclohexane]-4-yl)bismuthane
CID 10842932
2-amino-1-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylethanol
CID 117376316
4-deuteriospiro[1,3-benzodioxole-2,1'-cyclohexane]
CID 10655331
2-(hydroxymethyl)-3-(2-hydroxy-2-phenylethyl)phenol
CID 12747140
(1R)-1,2-diphenylethanol
CID 1379022
1-methyl-4-spiro[1,3-benzodioxole-2,1'-cyclohexane]-4-ylpiperazine
CID 10779729
(2S)-2-phenyl-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)acetamide
CID 35644639
spiro[1,3-benzodioxine-2,1'-cyclooctane]-4-one
CID 172559881
2-[[(1R)-1-phenylethyl]amino]-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylacetamide
CID 9248531
6-[(2R)-2-hydroxy-2-phenylethyl]-2,2,5-trimethyl-1,3-dioxin-4-one
CID 101353722
(1R)-1-phenyl-2-piperidin-1-ium-1-ylethanol
CID 7354795
3-[3-(2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-ylidene)-2-phenylpropylidene]-1,5-dioxaspiro[5.5]undecane-2,4-dione
CID 90978245

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-spiro[1,3-benzodioxole-2,1'-cyclohexane]-4-ylethanol?
The IUPAC name of 1-phenyl-2-spiro[1,3-benzodioxole-2,1'-cyclohexane]-4-ylethanol (CID 14809017) is 1-phenyl-2-spiro[1,3-benzodioxole-2,1'-cyclohexane]-4-ylethanol.
What is the SMILES notation for 1-phenyl-2-spiro[1,3-benzodioxole-2,1'-cyclohexane]-4-ylethanol?
The canonical SMILES for 1-phenyl-2-spiro[1,3-benzodioxole-2,1'-cyclohexane]-4-ylethanol is OC(Cc1cccc2c1OC1(CCCCC1)O2)c1ccccc1.
What is the InChIKey of 1-phenyl-2-spiro[1,3-benzodioxole-2,1'-cyclohexane]-4-ylethanol?
The InChIKey is IWRBCGARQRDKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O3/c21-17(15-8-3-1-4-9-15)14-16-10-7-11-18-19(16)23-20(22-18)12-5-2-6-13-20/h1,3-4,7-11,17,21H,2,5-6,12-14H2.
What are the key properties of 1-phenyl-2-spiro[1,3-benzodioxole-2,1'-cyclohexane]-4-ylethanol?
1-phenyl-2-spiro[1,3-benzodioxole-2,1'-cyclohexane]-4-ylethanol has a molecular weight of 310.39 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-spiro[1,3-benzodioxole-2,1'-cyclohexane]-4-ylethanol is sourced from PubChem (CID 14809017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).