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

C18H26O2 — CID 79900340

IUPAC1-(4-methylphenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanol
SMILESCc1ccc(C(C)(O)C2CCOC3(CCCC3)C2)cc1
InChIInChI=1S/C18H26O2/c1-14-5-7-15(8-6-14)17(2,19)16-9-12-20-18(13-16)10-3-4-11-18/h5-8,16,19H,3-4,9-13H2,1-2H3
InChIKeyAMPBLNUQFBAYEY-UHFFFAOYSA-N
MW274.40 g/mol
LogP3.94
Rot. Bonds2

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

1-(4-methylphenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanol (PubChem CID 79900340) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is 1-(4-methylphenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanol.

Molecular Properties

Compound Name1-(4-methylphenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanol
PubChem CID79900340
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Name1-(4-methylphenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanol
SMILESCc1ccc(C(C)(O)C2CCOC3(CCCC3)C2)cc1
InChIInChI=1S/C18H26O2/c1-14-5-7-15(8-6-14)17(2,19)16-9-12-20-18(13-16)10-3-4-11-18/h5-8,16,19H,3-4,9-13H2,1-2H3
InChIKeyAMPBLNUQFBAYEY-UHFFFAOYSA-N
XLogP3.94
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethylphenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanol
CID 79902301
1-(4-chlorophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanol
CID 79898549
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-(3-fluorophenyl)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol
CID 79900028
1-(4-chlorophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanol
CID 79902291
1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-1-phenylethanol
CID 79899148
1-cyclopropyl-2-(1-oxaspiro[5.5]undecan-4-yl)propan-2-ol
CID 113490241
1-(4-bromophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine
CID 79912756
1-(tert-butylamino)-2-(1-oxaspiro[5.5]undecan-4-yl)propan-2-ol
CID 79909309
1-(2,4-dichloro-5-fluorophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanol
CID 79902299
1-(2,6-dioxaspiro[4.5]decan-9-yl)-1-(3-fluorophenyl)ethanol
CID 79900027

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanol?
The IUPAC name of 1-(4-methylphenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanol (CID 79900340) is 1-(4-methylphenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanol.
What is the SMILES notation for 1-(4-methylphenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanol?
The canonical SMILES for 1-(4-methylphenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanol is Cc1ccc(C(C)(O)C2CCOC3(CCCC3)C2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanol?
The InChIKey is AMPBLNUQFBAYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O2/c1-14-5-7-15(8-6-14)17(2,19)16-9-12-20-18(13-16)10-3-4-11-18/h5-8,16,19H,3-4,9-13H2,1-2H3.
What are the key properties of 1-(4-methylphenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanol?
1-(4-methylphenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanol has a molecular weight of 274.40 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanol is sourced from PubChem (CID 79900340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).