1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-2-phenylethanol

C16H22O3 — CID 22856131

IUPAC1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-2-phenylethanol
SMILESOC(Cc1ccccc1)[C@H]1COC2(CCCCC2)O1
InChIInChI=1S/C16H22O3/c17-14(11-13-7-3-1-4-8-13)15-12-18-16(19-15)9-5-2-6-10-16/h1,3-4,7-8,14-15,17H,2,5-6,9-12H2/t14?,15-/m1/s1
InChIKeyZCKSHHBJRJTDNI-YSSOQSIOSA-N
MW262.35 g/mol
LogP2.67
Rot. Bonds3

About 1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-2-phenylethanol

1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-2-phenylethanol (PubChem CID 22856131) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-2-phenylethanol.

Molecular Properties

Compound Name1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-2-phenylethanol
PubChem CID22856131
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-2-phenylethanol
SMILESOC(Cc1ccccc1)[C@H]1COC2(CCCCC2)O1
InChIInChI=1S/C16H22O3/c17-14(11-13-7-3-1-4-8-13)15-12-18-16(19-15)9-5-2-6-10-16/h1,3-4,7-8,14-15,17H,2,5-6,9-12H2/t14?,15-/m1/s1
InChIKeyZCKSHHBJRJTDNI-YSSOQSIOSA-N
XLogP2.67
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-2-phenylethanol?
The IUPAC name of 1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-2-phenylethanol (CID 22856131) is 1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-2-phenylethanol.
What is the SMILES notation for 1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-2-phenylethanol?
The canonical SMILES for 1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-2-phenylethanol is OC(Cc1ccccc1)[C@H]1COC2(CCCCC2)O1.
What is the InChIKey of 1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-2-phenylethanol?
The InChIKey is ZCKSHHBJRJTDNI-YSSOQSIOSA-N. The full InChI is InChI=1S/C16H22O3/c17-14(11-13-7-3-1-4-8-13)15-12-18-16(19-15)9-5-2-6-10-16/h1,3-4,7-8,14-15,17H,2,5-6,9-12H2/t14?,15-/m1/s1.
What are the key properties of 1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-2-phenylethanol?
1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-2-phenylethanol has a molecular weight of 262.35 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-2-phenylethanol is sourced from PubChem (CID 22856131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).