1-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-3-(3-methoxyphenyl)thiourea

C18H22N2O3S — CID 100579625

IUPAC1-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-3-(3-methoxyphenyl)thiourea
SMILESCOc1ccc(OC[C@@H](C)NC(=S)Nc2cccc(OC)c2)cc1
InChIInChI=1S/C18H22N2O3S/c1-13(12-23-16-9-7-15(21-2)8-10-16)19-18(24)20-14-5-4-6-17(11-14)22-3/h4-11,13H,12H2,1-3H3,(H2,19,20,24)/t13-/m1/s1
InChIKeyOTZQICROTLMCKN-CYBMUJFWSA-N
MW346.45 g/mol
LogP3.46
Rot. Bonds7

About 1-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-3-(3-methoxyphenyl)thiourea

1-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-3-(3-methoxyphenyl)thiourea (PubChem CID 100579625) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 1-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-3-(3-methoxyphenyl)thiourea.

Molecular Properties

Compound Name1-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-3-(3-methoxyphenyl)thiourea
PubChem CID100579625
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name1-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-3-(3-methoxyphenyl)thiourea
SMILESCOc1ccc(OC[C@@H](C)NC(=S)Nc2cccc(OC)c2)cc1
InChIInChI=1S/C18H22N2O3S/c1-13(12-23-16-9-7-15(21-2)8-10-16)19-18(24)20-14-5-4-6-17(11-14)22-3/h4-11,13H,12H2,1-3H3,(H2,19,20,24)/t13-/m1/s1
InChIKeyOTZQICROTLMCKN-CYBMUJFWSA-N
XLogP3.46
TPSA51.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-(3-chlorophenyl)-3-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]thiourea
CID 100579548
1-(3-fluorophenyl)-3-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]thiourea
CID 100579956
1-(3-methoxyphenyl)-3-[(2R)-1-(2-methylphenoxy)propan-2-yl]thiourea
CID 95045491
1-(3,4-dimethoxyphenyl)-3-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]thiourea
CID 100579748
1-(3,5-dimethylphenyl)-3-[1-(4-methoxyphenoxy)propan-2-yl]thiourea
CID 133196938
1-(4-methoxyphenyl)-3-[(2R)-1-(4-methylphenoxy)propan-2-yl]thiourea
CID 100707948
1-(3-chlorophenyl)-3-(1-phenoxypropan-2-yl)thiourea
CID 133217062
1-[(2R)-1-phenoxypropan-2-yl]-3-(3-prop-2-enoxyphenyl)thiourea
CID 100750799
1-(4-chlorophenyl)-3-[1-(4-methoxyphenoxy)propan-2-yl]thiourea
CID 133196943
1-(4-methoxyphenyl)-3-[1-(2-methylphenoxy)propan-2-yl]thiourea
CID 47511471
1-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-3-(6-methoxy-3-pyridinyl)thiourea
CID 100580772
1-(3,4-dimethoxyphenyl)-3-[(2S)-1-phenoxypropan-2-yl]thiourea
CID 100750376

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-3-(3-methoxyphenyl)thiourea?
The IUPAC name of 1-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-3-(3-methoxyphenyl)thiourea (CID 100579625) is 1-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-3-(3-methoxyphenyl)thiourea.
What is the SMILES notation for 1-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-3-(3-methoxyphenyl)thiourea?
The canonical SMILES for 1-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-3-(3-methoxyphenyl)thiourea is COc1ccc(OC[C@@H](C)NC(=S)Nc2cccc(OC)c2)cc1.
What is the InChIKey of 1-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-3-(3-methoxyphenyl)thiourea?
The InChIKey is OTZQICROTLMCKN-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-13(12-23-16-9-7-15(21-2)8-10-16)19-18(24)20-14-5-4-6-17(11-14)22-3/h4-11,13H,12H2,1-3H3,(H2,19,20,24)/t13-/m1/s1.
What are the key properties of 1-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-3-(3-methoxyphenyl)thiourea?
1-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-3-(3-methoxyphenyl)thiourea has a molecular weight of 346.45 g/mol, XLogP of 3.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-3-(3-methoxyphenyl)thiourea is sourced from PubChem (CID 100579625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).