1-(4-ethylphenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanol

C19H28O2 — CID 79902301

IUPAC1-(4-ethylphenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanol
SMILESCCc1ccc(C(C)(O)C2CCOC3(CCCC3)C2)cc1
InChIInChI=1S/C19H28O2/c1-3-15-6-8-16(9-7-15)18(2,20)17-10-13-21-19(14-17)11-4-5-12-19/h6-9,17,20H,3-5,10-14H2,1-2H3
InChIKeyQCPMUNAKIJEXKF-UHFFFAOYSA-N
MW288.43 g/mol
LogP4.20
Rot. Bonds3

About 1-(4-ethylphenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanol

1-(4-ethylphenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanol (PubChem CID 79902301) has the molecular formula C19H28O2 and a molecular weight of 288.43 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanol.

Molecular Properties

Compound Name1-(4-ethylphenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanol
PubChem CID79902301
Molecular FormulaC19H28O2
Molecular Weight288.43 g/mol
Exact Mass288.21
IUPAC Name1-(4-ethylphenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanol
SMILESCCc1ccc(C(C)(O)C2CCOC3(CCCC3)C2)cc1
InChIInChI=1S/C19H28O2/c1-3-15-6-8-16(9-7-15)18(2,20)17-10-13-21-19(14-17)11-4-5-12-19/h6-9,17,20H,3-5,10-14H2,1-2H3
InChIKeyQCPMUNAKIJEXKF-UHFFFAOYSA-N
XLogP4.20
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methylphenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanol
CID 79900340
1-(4-chlorophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanol
CID 79898549
1-(3-fluorophenyl)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol
CID 79900028
1-(3-chlorophenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanol
CID 79899151
1-(3-bromophenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanol
CID 79902533
1-cyclopropyl-1-(4-ethylphenyl)ethanol
CID 23255821
1-(4-chlorophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanol
CID 79902291
1-cyclopropyl-2-(1-oxaspiro[5.5]undecan-4-yl)propan-2-ol
CID 113490241
1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-1-phenylethanol
CID 79899148
1-(4-fluorophenyl)-2-(6-oxaspiro[4.5]decan-9-yl)propan-2-amine
CID 114833718
3-(5-oxaspiro[3.5]nonan-8-yl)pentan-3-ol
CID 79898847
1-(tert-butylamino)-2-(1-oxaspiro[5.5]undecan-4-yl)propan-2-ol
CID 79909309

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanol?
The IUPAC name of 1-(4-ethylphenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanol (CID 79902301) is 1-(4-ethylphenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanol.
What is the SMILES notation for 1-(4-ethylphenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanol?
The canonical SMILES for 1-(4-ethylphenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanol is CCc1ccc(C(C)(O)C2CCOC3(CCCC3)C2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanol?
The InChIKey is QCPMUNAKIJEXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O2/c1-3-15-6-8-16(9-7-15)18(2,20)17-10-13-21-19(14-17)11-4-5-12-19/h6-9,17,20H,3-5,10-14H2,1-2H3.
What are the key properties of 1-(4-ethylphenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanol?
1-(4-ethylphenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanol has a molecular weight of 288.43 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanol is sourced from PubChem (CID 79902301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).