4-[4-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]butan-2-ol

C18H26O3 — CID 79899058

IUPAC4-[4-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]butan-2-ol
SMILESCC(O)CCc1ccc(OC2CCOC3(CCC3)C2)cc1
InChIInChI=1S/C18H26O3/c1-14(19)3-4-15-5-7-16(8-6-15)21-17-9-12-20-18(13-17)10-2-11-18/h5-8,14,17,19H,2-4,9-13H2,1H3
InChIKeyCZBCVECVDQBVEQ-UHFFFAOYSA-N
MW290.40 g/mol
LogP3.48
Rot. Bonds5

About 4-[4-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]butan-2-ol

4-[4-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]butan-2-ol (PubChem CID 79899058) has the molecular formula C18H26O3 and a molecular weight of 290.40 g/mol. Its IUPAC name is 4-[4-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]butan-2-ol.

Molecular Properties

Compound Name4-[4-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]butan-2-ol
PubChem CID79899058
Molecular FormulaC18H26O3
Molecular Weight290.40 g/mol
Exact Mass290.19
IUPAC Name4-[4-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]butan-2-ol
SMILESCC(O)CCc1ccc(OC2CCOC3(CCC3)C2)cc1
InChIInChI=1S/C18H26O3/c1-14(19)3-4-15-5-7-16(8-6-15)21-17-9-12-20-18(13-17)10-2-11-18/h5-8,14,17,19H,2-4,9-13H2,1H3
InChIKeyCZBCVECVDQBVEQ-UHFFFAOYSA-N
XLogP3.48
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[4-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]butan-2-ol 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

N-[[4-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]methyl]ethanamine
CID 79899819
2-[4-(1-oxaspiro[5.5]undecan-4-yloxy)phenyl]ethanamine
CID 79902831
1-[4-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]ethanamine
CID 79904241
1-[4-(1-oxaspiro[5.5]undecan-4-yloxy)phenyl]ethanamine
CID 79899545
1-[3-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]propan-2-amine
CID 79911465
4-(4-methylphenoxy)-1-oxaspiro[5.5]undecane
CID 79923185
N-methyl-1-[4-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanamine
CID 79899854
4-(1-oxaspiro[5.5]undecan-4-yloxy)aniline
CID 79904831
N-methyl-4-(6-oxaspiro[4.5]decan-9-yloxy)aniline
CID 79911910
N-[[5-(5-oxaspiro[3.5]nonan-8-yloxy)-2-pyridinyl]methyl]propan-2-amine
CID 79901007
4-(6-oxaspiro[4.5]decan-9-yloxy)benzoic acid
CID 79904986
1-[4-(6-oxa-2-thiaspiro[4.5]decan-9-yloxy)phenyl]propan-2-one
CID 115495256

Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]butan-2-ol?
The IUPAC name of 4-[4-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]butan-2-ol (CID 79899058) is 4-[4-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]butan-2-ol.
What is the SMILES notation for 4-[4-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]butan-2-ol?
The canonical SMILES for 4-[4-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]butan-2-ol is CC(O)CCc1ccc(OC2CCOC3(CCC3)C2)cc1.
What is the InChIKey of 4-[4-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]butan-2-ol?
The InChIKey is CZBCVECVDQBVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O3/c1-14(19)3-4-15-5-7-16(8-6-15)21-17-9-12-20-18(13-17)10-2-11-18/h5-8,14,17,19H,2-4,9-13H2,1H3.
What are the key properties of 4-[4-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]butan-2-ol?
4-[4-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]butan-2-ol has a molecular weight of 290.40 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]butan-2-ol is sourced from PubChem (CID 79899058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).