(2,3-dichlorophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanol

C16H20Cl2O3 — CID 79902767

IUPAC(2,3-dichlorophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanol
SMILESOC(c1cccc(Cl)c1Cl)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C16H20Cl2O3/c17-13-3-1-2-12(14(13)18)15(19)11-4-7-21-16(10-11)5-8-20-9-6-16/h1-3,11,15,19H,4-10H2
InChIKeyJYQKZCCFWDQCTI-UHFFFAOYSA-N
MW331.24 g/mol
LogP4.00
Rot. Bonds2

About (2,3-dichlorophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanol

(2,3-dichlorophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanol (PubChem CID 79902767) has the molecular formula C16H20Cl2O3 and a molecular weight of 331.24 g/mol. Its IUPAC name is (2,3-dichlorophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanol.

Molecular Properties

Compound Name(2,3-dichlorophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanol
PubChem CID79902767
Molecular FormulaC16H20Cl2O3
Molecular Weight331.24 g/mol
Exact Mass330.08
IUPAC Name(2,3-dichlorophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanol
SMILESOC(c1cccc(Cl)c1Cl)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C16H20Cl2O3/c17-13-3-1-2-12(14(13)18)15(19)11-4-7-21-16(10-11)5-8-20-9-6-16/h1-3,11,15,19H,4-10H2
InChIKeyJYQKZCCFWDQCTI-UHFFFAOYSA-N
XLogP4.00
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.24
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,6-dichlorophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanol
CID 79898859
(2,3-difluorophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanol
CID 79906842
(2-chloro-3-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 115823213
(2,3-difluorophenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 79913258
(5-bromo-2-fluorophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanol
CID 79906542
(2,4-dichlorophenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 79901535
(2-amino-5-bromophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanol
CID 82697881
(4-bromophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanol
CID 79900364
(2-chloro-4-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 106859418
(2,3-dimethylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 79913941
(2,4-dichlorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 79901810
(4-bromo-2-chlorophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanamine
CID 105012080

Frequently Asked Questions

What is the IUPAC name of (2,3-dichlorophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanol?
The IUPAC name of (2,3-dichlorophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanol (CID 79902767) is (2,3-dichlorophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanol.
What is the SMILES notation for (2,3-dichlorophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanol?
The canonical SMILES for (2,3-dichlorophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanol is OC(c1cccc(Cl)c1Cl)C1CCOC2(CCOCC2)C1.
What is the InChIKey of (2,3-dichlorophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanol?
The InChIKey is JYQKZCCFWDQCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2O3/c17-13-3-1-2-12(14(13)18)15(19)11-4-7-21-16(10-11)5-8-20-9-6-16/h1-3,11,15,19H,4-10H2.
What are the key properties of (2,3-dichlorophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanol?
(2,3-dichlorophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanol has a molecular weight of 331.24 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichlorophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanol is sourced from PubChem (CID 79902767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).