1-(4-chlorophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanol

C16H21ClO2 — CID 79898549

IUPAC1-(4-chlorophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanol
SMILESCC(O)(c1ccc(Cl)cc1)C1CCOC2(CCC2)C1
InChIInChI=1S/C16H21ClO2/c1-15(18,12-3-5-14(17)6-4-12)13-7-10-19-16(11-13)8-2-9-16/h3-6,13,18H,2,7-11H2,1H3
InChIKeyPKFBGZIDINJNSN-UHFFFAOYSA-N
MW280.80 g/mol
LogP3.90
Rot. Bonds2

About 1-(4-chlorophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanol

1-(4-chlorophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanol (PubChem CID 79898549) has the molecular formula C16H21ClO2 and a molecular weight of 280.80 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanol
PubChem CID79898549
Molecular FormulaC16H21ClO2
Molecular Weight280.80 g/mol
Exact Mass280.12
IUPAC Name1-(4-chlorophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanol
SMILESCC(O)(c1ccc(Cl)cc1)C1CCOC2(CCC2)C1
InChIInChI=1S/C16H21ClO2/c1-15(18,12-3-5-14(17)6-4-12)13-7-10-19-16(11-13)8-2-9-16/h3-6,13,18H,2,7-11H2,1H3
InChIKeyPKFBGZIDINJNSN-UHFFFAOYSA-N
XLogP3.90
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanol
CID 79902291
1-(4-methylphenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanol
CID 79900340
1-(3-chlorophenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanol
CID 79899151
1-(4-ethylphenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanol
CID 79902301
1-(2,4-dichloro-5-fluorophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanol
CID 79902299
1-(3-bromophenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanol
CID 79902533
1-(4-chlorophenyl)-1-(oxolan-3-yl)ethanol
CID 63563407
1-(3-fluorophenyl)-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol
CID 79900028
1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-1-phenylethanol
CID 79899148
1-(4-chlorophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanamine
CID 79913330
1-(4-bromophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine
CID 79912756
1-(4-methoxyphenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine
CID 79913797

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanol?
The IUPAC name of 1-(4-chlorophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanol (CID 79898549) is 1-(4-chlorophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanol.
What is the SMILES notation for 1-(4-chlorophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanol?
The canonical SMILES for 1-(4-chlorophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanol is CC(O)(c1ccc(Cl)cc1)C1CCOC2(CCC2)C1.
What is the InChIKey of 1-(4-chlorophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanol?
The InChIKey is PKFBGZIDINJNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClO2/c1-15(18,12-3-5-14(17)6-4-12)13-7-10-19-16(11-13)8-2-9-16/h3-6,13,18H,2,7-11H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanol?
1-(4-chlorophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanol has a molecular weight of 280.80 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanol is sourced from PubChem (CID 79898549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).