(2,4-dichlorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanol

C17H22Cl2O2 — CID 79902054

IUPAC(2,4-dichlorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanol
SMILESOC(c1ccc(Cl)cc1Cl)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C17H22Cl2O2/c18-13-4-5-14(15(19)10-13)16(20)12-6-9-21-17(11-12)7-2-1-3-8-17/h4-5,10,12,16,20H,1-3,6-9,11H2
InChIKeyKKMSJVAUUFZFHJ-UHFFFAOYSA-N
MW329.27 g/mol
LogP5.16
Rot. Bonds2

About (2,4-dichlorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanol

(2,4-dichlorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanol (PubChem CID 79902054) has the molecular formula C17H22Cl2O2 and a molecular weight of 329.27 g/mol. Its IUPAC name is (2,4-dichlorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanol.

Molecular Properties

Compound Name(2,4-dichlorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanol
PubChem CID79902054
Molecular FormulaC17H22Cl2O2
Molecular Weight329.27 g/mol
Exact Mass328.10
IUPAC Name(2,4-dichlorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanol
SMILESOC(c1ccc(Cl)cc1Cl)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C17H22Cl2O2/c18-13-4-5-14(15(19)10-13)16(20)12-6-9-21-17(11-12)7-2-1-3-8-17/h4-5,10,12,16,20H,1-3,6-9,11H2
InChIKeyKKMSJVAUUFZFHJ-UHFFFAOYSA-N
XLogP5.16
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.27
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,4-dichlorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 79901810
(2,4-dichlorophenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 79901535
1-(2,4-dichlorophenyl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 105016815
(3-chlorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 79899476
(2-chloro-3-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 115823213
(2,5-dichlorothiophen-3-yl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 107969804
(4-bromo-2-methylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 115823158
(2-chloro-4-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 106859418
(2,4-dibromophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 107947647
(3,4-dichlorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 79900057
(2-iodophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanol
CID 115823060
(3-bromo-4-fluorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanol
CID 79906549

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanol?
The IUPAC name of (2,4-dichlorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanol (CID 79902054) is (2,4-dichlorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanol.
What is the SMILES notation for (2,4-dichlorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanol?
The canonical SMILES for (2,4-dichlorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanol is OC(c1ccc(Cl)cc1Cl)C1CCOC2(CCCCC2)C1.
What is the InChIKey of (2,4-dichlorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanol?
The InChIKey is KKMSJVAUUFZFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22Cl2O2/c18-13-4-5-14(15(19)10-13)16(20)12-6-9-21-17(11-12)7-2-1-3-8-17/h4-5,10,12,16,20H,1-3,6-9,11H2.
What are the key properties of (2,4-dichlorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanol?
(2,4-dichlorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanol has a molecular weight of 329.27 g/mol, XLogP of 5.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanol is sourced from PubChem (CID 79902054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).