[4-[(dimethylamino)methyl]-3-methylsulfanyl-2-propan-2-yloxyphenyl]methanol

C14H23NO2S — CID 23201178

IUPAC[4-[(dimethylamino)methyl]-3-methylsulfanyl-2-propan-2-yloxyphenyl]methanol
SMILESCSc1c(CN(C)C)ccc(CO)c1OC(C)C
InChIInChI=1S/C14H23NO2S/c1-10(2)17-13-12(9-16)7-6-11(8-15(3)4)14(13)18-5/h6-7,10,16H,8-9H2,1-5H3
InChIKeyOQYZCFMVIRXOPL-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.75
Rot. Bonds6

About [4-[(dimethylamino)methyl]-3-methylsulfanyl-2-propan-2-yloxyphenyl]methanol

[4-[(dimethylamino)methyl]-3-methylsulfanyl-2-propan-2-yloxyphenyl]methanol (PubChem CID 23201178) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is [4-[(dimethylamino)methyl]-3-methylsulfanyl-2-propan-2-yloxyphenyl]methanol.

Molecular Properties

Compound Name[4-[(dimethylamino)methyl]-3-methylsulfanyl-2-propan-2-yloxyphenyl]methanol
PubChem CID23201178
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC Name[4-[(dimethylamino)methyl]-3-methylsulfanyl-2-propan-2-yloxyphenyl]methanol
SMILESCSc1c(CN(C)C)ccc(CO)c1OC(C)C
InChIInChI=1S/C14H23NO2S/c1-10(2)17-13-12(9-16)7-6-11(8-15(3)4)14(13)18-5/h6-7,10,16H,8-9H2,1-5H3
InChIKeyOQYZCFMVIRXOPL-UHFFFAOYSA-N
XLogP2.75
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[(dimethylamino)methyl]-3-methylsulfanyl-2-propan-2-yloxyphenyl]methanol?
The IUPAC name of [4-[(dimethylamino)methyl]-3-methylsulfanyl-2-propan-2-yloxyphenyl]methanol (CID 23201178) is [4-[(dimethylamino)methyl]-3-methylsulfanyl-2-propan-2-yloxyphenyl]methanol.
What is the SMILES notation for [4-[(dimethylamino)methyl]-3-methylsulfanyl-2-propan-2-yloxyphenyl]methanol?
The canonical SMILES for [4-[(dimethylamino)methyl]-3-methylsulfanyl-2-propan-2-yloxyphenyl]methanol is CSc1c(CN(C)C)ccc(CO)c1OC(C)C.
What is the InChIKey of [4-[(dimethylamino)methyl]-3-methylsulfanyl-2-propan-2-yloxyphenyl]methanol?
The InChIKey is OQYZCFMVIRXOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-10(2)17-13-12(9-16)7-6-11(8-15(3)4)14(13)18-5/h6-7,10,16H,8-9H2,1-5H3.
What are the key properties of [4-[(dimethylamino)methyl]-3-methylsulfanyl-2-propan-2-yloxyphenyl]methanol?
[4-[(dimethylamino)methyl]-3-methylsulfanyl-2-propan-2-yloxyphenyl]methanol has a molecular weight of 269.41 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(dimethylamino)methyl]-3-methylsulfanyl-2-propan-2-yloxyphenyl]methanol is sourced from PubChem (CID 23201178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).