(3,4-dichlorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol

C15H18Cl2O2 — CID 79900057

IUPAC(3,4-dichlorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
SMILESOC(c1ccc(Cl)c(Cl)c1)C1CCOC2(CCC2)C1
InChIInChI=1S/C15H18Cl2O2/c16-12-3-2-10(8-13(12)17)14(18)11-4-7-19-15(9-11)5-1-6-15/h2-3,8,11,14,18H,1,4-7,9H2
InChIKeyRXACIRSVPBRVKG-UHFFFAOYSA-N
MW301.21 g/mol
LogP4.38
Rot. Bonds2

About (3,4-dichlorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol

(3,4-dichlorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol (PubChem CID 79900057) has the molecular formula C15H18Cl2O2 and a molecular weight of 301.21 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
PubChem CID79900057
Molecular FormulaC15H18Cl2O2
Molecular Weight301.21 g/mol
Exact Mass300.07
IUPAC Name(3,4-dichlorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
SMILESOC(c1ccc(Cl)c(Cl)c1)C1CCOC2(CCC2)C1
InChIInChI=1S/C15H18Cl2O2/c16-12-3-2-10(8-13(12)17)14(18)11-4-7-19-15(9-11)5-1-6-15/h2-3,8,11,14,18H,1,4-7,9H2
InChIKeyRXACIRSVPBRVKG-UHFFFAOYSA-N
XLogP4.38
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.21
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,4-dichlorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 81492336
(3,4-dichlorophenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 79899757
1-(3,4-dichlorophenyl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 81491757
(3-chlorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 79899476
(3,4-dimethylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 79912699
(4-bromo-3-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 81447084
(4-fluoro-3-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 79912706
(3-iodophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 115819602
[3-(difluoromethyl)phenyl]-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 115527624
(4-chloro-3-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 115823322
(3-aminophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 106695822
(4-bromo-3-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 81437214

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol?
The IUPAC name of (3,4-dichlorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol (CID 79900057) is (3,4-dichlorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol.
What is the SMILES notation for (3,4-dichlorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol?
The canonical SMILES for (3,4-dichlorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol is OC(c1ccc(Cl)c(Cl)c1)C1CCOC2(CCC2)C1.
What is the InChIKey of (3,4-dichlorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol?
The InChIKey is RXACIRSVPBRVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2O2/c16-12-3-2-10(8-13(12)17)14(18)11-4-7-19-15(9-11)5-1-6-15/h2-3,8,11,14,18H,1,4-7,9H2.
What are the key properties of (3,4-dichlorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol?
(3,4-dichlorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol has a molecular weight of 301.21 g/mol, XLogP of 4.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol is sourced from PubChem (CID 79900057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).