1-[(2R)-1-(4-methylphenoxy)propan-2-yl]-3-phenylthiourea

C17H20N2OS — CID 99997474

IUPAC1-[(2R)-1-(4-methylphenoxy)propan-2-yl]-3-phenylthiourea
SMILESCc1ccc(OC[C@@H](C)NC(=S)Nc2ccccc2)cc1
InChIInChI=1S/C17H20N2OS/c1-13-8-10-16(11-9-13)20-12-14(2)18-17(21)19-15-6-4-3-5-7-15/h3-11,14H,12H2,1-2H3,(H2,18,19,21)/t14-/m1/s1
InChIKeyDIIICMDMYZCPOF-CQSZACIVSA-N
MW300.43 g/mol
LogP3.75
Rot. Bonds5

About 1-[(2R)-1-(4-methylphenoxy)propan-2-yl]-3-phenylthiourea

1-[(2R)-1-(4-methylphenoxy)propan-2-yl]-3-phenylthiourea (PubChem CID 99997474) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is 1-[(2R)-1-(4-methylphenoxy)propan-2-yl]-3-phenylthiourea.

Molecular Properties

Compound Name1-[(2R)-1-(4-methylphenoxy)propan-2-yl]-3-phenylthiourea
PubChem CID99997474
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Name1-[(2R)-1-(4-methylphenoxy)propan-2-yl]-3-phenylthiourea
SMILESCc1ccc(OC[C@@H](C)NC(=S)Nc2ccccc2)cc1
InChIInChI=1S/C17H20N2OS/c1-13-8-10-16(11-9-13)20-12-14(2)18-17(21)19-15-6-4-3-5-7-15/h3-11,14H,12H2,1-2H3,(H2,18,19,21)/t14-/m1/s1
InChIKeyDIIICMDMYZCPOF-CQSZACIVSA-N
XLogP3.75
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methoxyphenyl)-3-[(2R)-1-(4-methylphenoxy)propan-2-yl]thiourea
CID 100707948
1-[1-(4-methylphenoxy)propan-2-yl]-3-pyridin-4-ylthiourea
CID 133154726
1-[1-(4-methylphenoxy)propan-2-yl]-3-[4-(phenylsulfanylmethyl)phenyl]thiourea
CID 133154759
1-(3-chlorophenyl)-3-[(2R)-1-(4-methylphenoxy)propan-2-yl]thiourea
CID 100707842
1-[1-(4-methylphenoxy)propan-2-yl]-3-[4-(trifluoromethyl)phenyl]thiourea
CID 133154764
1-(3,4-dimethylphenyl)-3-[1-(4-methylphenoxy)propan-2-yl]thiourea
CID 133154738
1-[(2R)-1-(2-methylphenoxy)propan-2-yl]-3-(4-methylphenyl)thiourea
CID 99643583
1-[1-(2-methoxyphenoxy)propan-2-yl]-3-(4-methylphenyl)thiourea
CID 133217120
1-[(2S)-1-(2-methoxyphenoxy)propan-2-yl]-3-(4-methylphenyl)thiourea
CID 100751024
1-[(2S)-1-phenoxypropan-2-yl]-3-pyridin-3-ylthiourea
CID 99866154
1-(3-chlorophenyl)-3-(1-phenoxypropan-2-yl)thiourea
CID 133217062
1-(2,4-dimethylphenyl)-3-(1-phenoxypropan-2-yl)thiourea
CID 133217057

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1-(4-methylphenoxy)propan-2-yl]-3-phenylthiourea?
The IUPAC name of 1-[(2R)-1-(4-methylphenoxy)propan-2-yl]-3-phenylthiourea (CID 99997474) is 1-[(2R)-1-(4-methylphenoxy)propan-2-yl]-3-phenylthiourea.
What is the SMILES notation for 1-[(2R)-1-(4-methylphenoxy)propan-2-yl]-3-phenylthiourea?
The canonical SMILES for 1-[(2R)-1-(4-methylphenoxy)propan-2-yl]-3-phenylthiourea is Cc1ccc(OC[C@@H](C)NC(=S)Nc2ccccc2)cc1.
What is the InChIKey of 1-[(2R)-1-(4-methylphenoxy)propan-2-yl]-3-phenylthiourea?
The InChIKey is DIIICMDMYZCPOF-CQSZACIVSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-13-8-10-16(11-9-13)20-12-14(2)18-17(21)19-15-6-4-3-5-7-15/h3-11,14H,12H2,1-2H3,(H2,18,19,21)/t14-/m1/s1.
What are the key properties of 1-[(2R)-1-(4-methylphenoxy)propan-2-yl]-3-phenylthiourea?
1-[(2R)-1-(4-methylphenoxy)propan-2-yl]-3-phenylthiourea has a molecular weight of 300.43 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1-(4-methylphenoxy)propan-2-yl]-3-phenylthiourea is sourced from PubChem (CID 99997474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).