8-(4-cyclopropyloxyphenyl)-1,4-dioxaspiro[4.5]decan-8-ol

C17H22O4 — CID 114518630

IUPAC8-(4-cyclopropyloxyphenyl)-1,4-dioxaspiro[4.5]decan-8-ol
SMILESOC1(c2ccc(OC3CC3)cc2)CCC2(CC1)OCCO2
InChIInChI=1S/C17H22O4/c18-16(7-9-17(10-8-16)19-11-12-20-17)13-1-3-14(4-2-13)21-15-5-6-15/h1-4,15,18H,5-12H2
InChIKeyXMKGYPBKOMQOPD-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.73
Rot. Bonds3

About 8-(4-cyclopropyloxyphenyl)-1,4-dioxaspiro[4.5]decan-8-ol

8-(4-cyclopropyloxyphenyl)-1,4-dioxaspiro[4.5]decan-8-ol (PubChem CID 114518630) has the molecular formula C17H22O4 and a molecular weight of 290.36 g/mol. Its IUPAC name is 8-(4-cyclopropyloxyphenyl)-1,4-dioxaspiro[4.5]decan-8-ol.

Molecular Properties

Compound Name8-(4-cyclopropyloxyphenyl)-1,4-dioxaspiro[4.5]decan-8-ol
PubChem CID114518630
Molecular FormulaC17H22O4
Molecular Weight290.36 g/mol
Exact Mass290.15
IUPAC Name8-(4-cyclopropyloxyphenyl)-1,4-dioxaspiro[4.5]decan-8-ol
SMILESOC1(c2ccc(OC3CC3)cc2)CCC2(CC1)OCCO2
InChIInChI=1S/C17H22O4/c18-16(7-9-17(10-8-16)19-11-12-20-17)13-1-3-14(4-2-13)21-15-5-6-15/h1-4,15,18H,5-12H2
InChIKeyXMKGYPBKOMQOPD-UHFFFAOYSA-N
XLogP2.73
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-(4-methoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-ol
CID 10934332
ethane;8-phenyl-1,4-dioxaspiro[4.5]decan-8-ol
CID 91262908
4-(1,4-dioxaspiro[4.5]decan-8-yloxy)benzene-1,2-diol
CID 70843882
1-(4-cyclopropyloxyphenyl)-4-(ethylamino)cyclohexan-1-ol
CID 114520395
3-(4-cyclopropyloxyphenyl)-1,1-dioxothiolan-3-ol
CID 114518494
8-(3-cyclobutylphenyl)-1,4-dioxaspiro[4.5]decan-8-ol
CID 114601416
1,4-dioxaspiro[4.5]decan-8-ol;phenol;8-phenoxy-1,4-dioxaspiro[4.5]decane
CID 159456083
8-(4-propylphenyl)-1,4-dioxaspiro[4.6]undecan-8-ol
CID 145005903
8-pyrimidin-5-yl-1,4-dioxaspiro[4.5]decan-8-ol
CID 59556106
benzyl 4-(1,4-dioxaspiro[4.5]decan-8-yloxy)benzoate
CID 66761730
1-(4-cyclopentyloxyphenyl)cyclopentan-1-amine
CID 82294898
2-chloro-5-(1,4-dioxaspiro[4.5]decan-8-yloxy)pyrimidine
CID 77231038

Frequently Asked Questions

What is the IUPAC name of 8-(4-cyclopropyloxyphenyl)-1,4-dioxaspiro[4.5]decan-8-ol?
The IUPAC name of 8-(4-cyclopropyloxyphenyl)-1,4-dioxaspiro[4.5]decan-8-ol (CID 114518630) is 8-(4-cyclopropyloxyphenyl)-1,4-dioxaspiro[4.5]decan-8-ol.
What is the SMILES notation for 8-(4-cyclopropyloxyphenyl)-1,4-dioxaspiro[4.5]decan-8-ol?
The canonical SMILES for 8-(4-cyclopropyloxyphenyl)-1,4-dioxaspiro[4.5]decan-8-ol is OC1(c2ccc(OC3CC3)cc2)CCC2(CC1)OCCO2.
What is the InChIKey of 8-(4-cyclopropyloxyphenyl)-1,4-dioxaspiro[4.5]decan-8-ol?
The InChIKey is XMKGYPBKOMQOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O4/c18-16(7-9-17(10-8-16)19-11-12-20-17)13-1-3-14(4-2-13)21-15-5-6-15/h1-4,15,18H,5-12H2.
What are the key properties of 8-(4-cyclopropyloxyphenyl)-1,4-dioxaspiro[4.5]decan-8-ol?
8-(4-cyclopropyloxyphenyl)-1,4-dioxaspiro[4.5]decan-8-ol has a molecular weight of 290.36 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-cyclopropyloxyphenyl)-1,4-dioxaspiro[4.5]decan-8-ol is sourced from PubChem (CID 114518630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).