7-[2-(2-hydroxyethyl)phenyl]-1,4-dioxaspiro[4.5]decan-7-ol

C16H22O4 — CID 156775345

IUPAC7-[2-(2-hydroxyethyl)phenyl]-1,4-dioxaspiro[4.5]decan-7-ol
SMILESOCCc1ccccc1C1(O)CCCC2(C1)OCCO2
InChIInChI=1S/C16H22O4/c17-9-6-13-4-1-2-5-14(13)15(18)7-3-8-16(12-15)19-10-11-20-16/h1-2,4-5,17-18H,3,6-12H2
InChIKeyZYNDWYRCDAZSNS-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.73
Rot. Bonds3

About 7-[2-(2-hydroxyethyl)phenyl]-1,4-dioxaspiro[4.5]decan-7-ol

7-[2-(2-hydroxyethyl)phenyl]-1,4-dioxaspiro[4.5]decan-7-ol (PubChem CID 156775345) has the molecular formula C16H22O4 and a molecular weight of 278.35 g/mol. Its IUPAC name is 7-[2-(2-hydroxyethyl)phenyl]-1,4-dioxaspiro[4.5]decan-7-ol.

Molecular Properties

Compound Name7-[2-(2-hydroxyethyl)phenyl]-1,4-dioxaspiro[4.5]decan-7-ol
PubChem CID156775345
Molecular FormulaC16H22O4
Molecular Weight278.35 g/mol
Exact Mass278.15
IUPAC Name7-[2-(2-hydroxyethyl)phenyl]-1,4-dioxaspiro[4.5]decan-7-ol
SMILESOCCc1ccccc1C1(O)CCCC2(C1)OCCO2
InChIInChI=1S/C16H22O4/c17-9-6-13-4-1-2-5-14(13)15(18)7-3-8-16(12-15)19-10-11-20-16/h1-2,4-5,17-18H,3,6-12H2
InChIKeyZYNDWYRCDAZSNS-UHFFFAOYSA-N
XLogP1.73
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[2-(2-hydroxyethyl)phenyl]-1,4-dioxaspiro[4.5]decan-7-ol?
The IUPAC name of 7-[2-(2-hydroxyethyl)phenyl]-1,4-dioxaspiro[4.5]decan-7-ol (CID 156775345) is 7-[2-(2-hydroxyethyl)phenyl]-1,4-dioxaspiro[4.5]decan-7-ol.
What is the SMILES notation for 7-[2-(2-hydroxyethyl)phenyl]-1,4-dioxaspiro[4.5]decan-7-ol?
The canonical SMILES for 7-[2-(2-hydroxyethyl)phenyl]-1,4-dioxaspiro[4.5]decan-7-ol is OCCc1ccccc1C1(O)CCCC2(C1)OCCO2.
What is the InChIKey of 7-[2-(2-hydroxyethyl)phenyl]-1,4-dioxaspiro[4.5]decan-7-ol?
The InChIKey is ZYNDWYRCDAZSNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O4/c17-9-6-13-4-1-2-5-14(13)15(18)7-3-8-16(12-15)19-10-11-20-16/h1-2,4-5,17-18H,3,6-12H2.
What are the key properties of 7-[2-(2-hydroxyethyl)phenyl]-1,4-dioxaspiro[4.5]decan-7-ol?
7-[2-(2-hydroxyethyl)phenyl]-1,4-dioxaspiro[4.5]decan-7-ol has a molecular weight of 278.35 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(2-hydroxyethyl)phenyl]-1,4-dioxaspiro[4.5]decan-7-ol is sourced from PubChem (CID 156775345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).