[(2S,3S)-2-[(2-chlorophenyl)methyl]-1,4-dioxaspiro[4.5]decan-3-yl]methanol

C16H21ClO3 — CID 118379052

IUPAC[(2S,3S)-2-[(2-chlorophenyl)methyl]-1,4-dioxaspiro[4.5]decan-3-yl]methanol
SMILESOC[C@@H]1OC2(CCCCC2)O[C@H]1Cc1ccccc1Cl
InChIInChI=1S/C16H21ClO3/c17-13-7-3-2-6-12(13)10-14-15(11-18)20-16(19-14)8-4-1-5-9-16/h2-3,6-7,14-15,18H,1,4-5,8-11H2/t14-,15-/m0/s1
InChIKeyPWJPBLNBJZYFJY-GJZGRUSLSA-N
MW296.79 g/mol
LogP3.32
Rot. Bonds3

About [(2S,3S)-2-[(2-chlorophenyl)methyl]-1,4-dioxaspiro[4.5]decan-3-yl]methanol

[(2S,3S)-2-[(2-chlorophenyl)methyl]-1,4-dioxaspiro[4.5]decan-3-yl]methanol (PubChem CID 118379052) has the molecular formula C16H21ClO3 and a molecular weight of 296.79 g/mol. Its IUPAC name is [(2S,3S)-2-[(2-chlorophenyl)methyl]-1,4-dioxaspiro[4.5]decan-3-yl]methanol.

Molecular Properties

Compound Name[(2S,3S)-2-[(2-chlorophenyl)methyl]-1,4-dioxaspiro[4.5]decan-3-yl]methanol
PubChem CID118379052
Molecular FormulaC16H21ClO3
Molecular Weight296.79 g/mol
Exact Mass296.12
IUPAC Name[(2S,3S)-2-[(2-chlorophenyl)methyl]-1,4-dioxaspiro[4.5]decan-3-yl]methanol
SMILESOC[C@@H]1OC2(CCCCC2)O[C@H]1Cc1ccccc1Cl
InChIInChI=1S/C16H21ClO3/c17-13-7-3-2-6-12(13)10-14-15(11-18)20-16(19-14)8-4-1-5-9-16/h2-3,6-7,14-15,18H,1,4-5,8-11H2/t14-,15-/m0/s1
InChIKeyPWJPBLNBJZYFJY-GJZGRUSLSA-N
XLogP3.32
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.79
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(2S,3S)-2-[(2-chlorophenyl)methyl]-1,4-dioxaspiro[4.5]decan-3-yl]methanol with MolForge

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Related Compounds

methyl (3R)-2-[(2-chlorophenyl)methyl]-1,4-dioxaspiro[4.5]decane-3-carboxylate
CID 163741003
[(2S,3S)-2-[(2-chlorophenyl)methyl]-1,4-dioxaspiro[4.5]decan-3-yl]methyl sulfamate
CID 118151907
[3-(2-aminophenyl)-1,4-dioxaspiro[4.5]decan-2-yl]methanol
CID 123409924
2-(3-benzyl-1,4-dioxaspiro[4.4]nonan-2-yl)ethanol
CID 123822075
1-chloro-2-(cyclohexylmethyl)benzene
CID 54348768
1-[(2-chlorophenyl)methyl]cycloheptan-1-ol
CID 60797945
(4S,5S)-4-[(2-chlorophenyl)methyl]-5-methoxy-2,2-dimethyl-1,3-dioxolane
CID 141385220
4-[(2-chlorophenyl)methyl]-5-ethynyl-2,2-dimethyl-1,3-dioxolane
CID 135359351
2-[(7S,9S)-9-(2-chlorophenyl)-6,10-dioxaspiro[4.5]decan-7-yl]ethanol
CID 148700038
N-[(2-chlorophenyl)methyl]spiro[4.5]decan-8-amine
CID 114817057
(1S,6R,8S)-8-[(2-chlorophenyl)methyl]-6-methyl-9-oxabicyclo[4.2.1]nonan-1-ol
CID 132548207
4-[(2-chlorophenyl)methyl]-2,2-diethyl-5-methyl-1,3-dioxolane
CID 118279079

Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-2-[(2-chlorophenyl)methyl]-1,4-dioxaspiro[4.5]decan-3-yl]methanol?
The IUPAC name of [(2S,3S)-2-[(2-chlorophenyl)methyl]-1,4-dioxaspiro[4.5]decan-3-yl]methanol (CID 118379052) is [(2S,3S)-2-[(2-chlorophenyl)methyl]-1,4-dioxaspiro[4.5]decan-3-yl]methanol.
What is the SMILES notation for [(2S,3S)-2-[(2-chlorophenyl)methyl]-1,4-dioxaspiro[4.5]decan-3-yl]methanol?
The canonical SMILES for [(2S,3S)-2-[(2-chlorophenyl)methyl]-1,4-dioxaspiro[4.5]decan-3-yl]methanol is OC[C@@H]1OC2(CCCCC2)O[C@H]1Cc1ccccc1Cl.
What is the InChIKey of [(2S,3S)-2-[(2-chlorophenyl)methyl]-1,4-dioxaspiro[4.5]decan-3-yl]methanol?
The InChIKey is PWJPBLNBJZYFJY-GJZGRUSLSA-N. The full InChI is InChI=1S/C16H21ClO3/c17-13-7-3-2-6-12(13)10-14-15(11-18)20-16(19-14)8-4-1-5-9-16/h2-3,6-7,14-15,18H,1,4-5,8-11H2/t14-,15-/m0/s1.
What are the key properties of [(2S,3S)-2-[(2-chlorophenyl)methyl]-1,4-dioxaspiro[4.5]decan-3-yl]methanol?
[(2S,3S)-2-[(2-chlorophenyl)methyl]-1,4-dioxaspiro[4.5]decan-3-yl]methanol has a molecular weight of 296.79 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-2-[(2-chlorophenyl)methyl]-1,4-dioxaspiro[4.5]decan-3-yl]methanol is sourced from PubChem (CID 118379052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).