(4-methoxy-2-methylphenyl)-(4-methylthiomorpholin-3-yl)methanol

C14H21NO2S — CID 103595654

IUPAC(4-methoxy-2-methylphenyl)-(4-methylthiomorpholin-3-yl)methanol
SMILESCOc1ccc(C(O)C2CSCCN2C)c(C)c1
InChIInChI=1S/C14H21NO2S/c1-10-8-11(17-3)4-5-12(10)14(16)13-9-18-7-6-15(13)2/h4-5,8,13-14,16H,6-7,9H2,1-3H3
InChIKeyPRWMYCCZDSSBLF-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.08
Rot. Bonds3

About (4-methoxy-2-methylphenyl)-(4-methylthiomorpholin-3-yl)methanol

(4-methoxy-2-methylphenyl)-(4-methylthiomorpholin-3-yl)methanol (PubChem CID 103595654) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is (4-methoxy-2-methylphenyl)-(4-methylthiomorpholin-3-yl)methanol.

Molecular Properties

Compound Name(4-methoxy-2-methylphenyl)-(4-methylthiomorpholin-3-yl)methanol
PubChem CID103595654
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name(4-methoxy-2-methylphenyl)-(4-methylthiomorpholin-3-yl)methanol
SMILESCOc1ccc(C(O)C2CSCCN2C)c(C)c1
InChIInChI=1S/C14H21NO2S/c1-10-8-11(17-3)4-5-12(10)14(16)13-9-18-7-6-15(13)2/h4-5,8,13-14,16H,6-7,9H2,1-3H3
InChIKeyPRWMYCCZDSSBLF-UHFFFAOYSA-N
XLogP2.08
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methoxy-2-methylphenyl)-(thiolan-2-yl)methanol
CID 80622075
(2-amino-5-methyl-3-pyridinyl)-(4-methylthiomorpholin-3-yl)methanol
CID 103595651
(3,5-difluorophenyl)-(4-methylthiomorpholin-3-yl)methanol
CID 103595528
(2-cyclobutylphenyl)-(4-methylthiomorpholin-3-yl)methanol
CID 103595728
(4-methoxy-2-methylphenyl)-piperidin-4-ylmethanol
CID 80560362
(4-methylthiomorpholin-3-yl)-[3-(trifluoromethoxy)phenyl]methanol
CID 103595745
2-cyclopropyl-2-(4-methoxy-2-methylphenyl)acetic acid
CID 175669177
(2,4-dimethoxyphenyl)-(thiolan-3-yl)methanol
CID 105096043
[(2-methoxy-4,6-dimethylphenyl)-(4-methylthiomorpholin-3-yl)methyl]hydrazine
CID 106682865
[(5-methoxy-3-pyridinyl)-(4-methylthiomorpholin-3-yl)methyl]hydrazine
CID 106446579
(2-methoxy-4,6-dimethylphenyl)-(4-methylthiomorpholin-3-yl)methanamine
CID 106681022
2-(3-fluoro-4-methoxyphenyl)-1-(4-methylthiomorpholin-3-yl)ethanol
CID 103595829

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-2-methylphenyl)-(4-methylthiomorpholin-3-yl)methanol?
The IUPAC name of (4-methoxy-2-methylphenyl)-(4-methylthiomorpholin-3-yl)methanol (CID 103595654) is (4-methoxy-2-methylphenyl)-(4-methylthiomorpholin-3-yl)methanol.
What is the SMILES notation for (4-methoxy-2-methylphenyl)-(4-methylthiomorpholin-3-yl)methanol?
The canonical SMILES for (4-methoxy-2-methylphenyl)-(4-methylthiomorpholin-3-yl)methanol is COc1ccc(C(O)C2CSCCN2C)c(C)c1.
What is the InChIKey of (4-methoxy-2-methylphenyl)-(4-methylthiomorpholin-3-yl)methanol?
The InChIKey is PRWMYCCZDSSBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-10-8-11(17-3)4-5-12(10)14(16)13-9-18-7-6-15(13)2/h4-5,8,13-14,16H,6-7,9H2,1-3H3.
What are the key properties of (4-methoxy-2-methylphenyl)-(4-methylthiomorpholin-3-yl)methanol?
(4-methoxy-2-methylphenyl)-(4-methylthiomorpholin-3-yl)methanol has a molecular weight of 267.39 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-2-methylphenyl)-(4-methylthiomorpholin-3-yl)methanol is sourced from PubChem (CID 103595654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).