1-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]-3-(4-methoxyphenyl)urea

C25H28N2O4 — CID 142200724

IUPAC1-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2cc(C)c(Oc3ccc(O)c(C(C)C)c3)c(C)c2)cc1
InChIInChI=1S/C25H28N2O4/c1-15(2)22-14-21(10-11-23(22)28)31-24-16(3)12-19(13-17(24)4)27-25(29)26-18-6-8-20(30-5)9-7-18/h6-15,28H,1-5H3,(H2,26,27,29)
InChIKeyYNARCAHAAAWSMU-UHFFFAOYSA-N
MW420.51 g/mol
LogP6.58
Rot. Bonds6

About 1-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]-3-(4-methoxyphenyl)urea

1-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]-3-(4-methoxyphenyl)urea (PubChem CID 142200724) has the molecular formula C25H28N2O4 and a molecular weight of 420.51 g/mol. Its IUPAC name is 1-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]-3-(4-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]-3-(4-methoxyphenyl)urea
PubChem CID142200724
Molecular FormulaC25H28N2O4
Molecular Weight420.51 g/mol
Exact Mass420.20
IUPAC Name1-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2cc(C)c(Oc3ccc(O)c(C(C)C)c3)c(C)c2)cc1
InChIInChI=1S/C25H28N2O4/c1-15(2)22-14-21(10-11-23(22)28)31-24-16(3)12-19(13-17(24)4)27-25(29)26-18-6-8-20(30-5)9-7-18/h6-15,28H,1-5H3,(H2,26,27,29)
InChIKeyYNARCAHAAAWSMU-UHFFFAOYSA-N
XLogP6.58
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.51
LogP ≤ 56.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]-3-(4-methoxyphenyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,5-dimethylphenyl)-3-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]urea
CID 10112746
(4-methoxyphenyl) N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]carbamate
CID 142200774
formaldehyde;N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]acetamide;methanol
CID 143340424
2-acetamido-N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]acetamide
CID 142200859
3-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]-1,1-diphenylurea
CID 142200728
4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenol
CID 25150421
N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]morpholine-4-carboxamide
CID 142200788
N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]-3-phenoxybenzamide
CID 142200753
N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 142200803
N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]-5-oxooxolane-2-carboxamide
CID 142200847
4-(2,6-dimethylphenoxy)-2-propan-2-ylphenol
CID 90980737
2-amino-N-[4-(4-methoxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]acetamide
CID 142030863

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]-3-(4-methoxyphenyl)urea?
The IUPAC name of 1-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]-3-(4-methoxyphenyl)urea (CID 142200724) is 1-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]-3-(4-methoxyphenyl)urea.
What is the SMILES notation for 1-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]-3-(4-methoxyphenyl)urea?
The canonical SMILES for 1-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]-3-(4-methoxyphenyl)urea is COc1ccc(NC(=O)Nc2cc(C)c(Oc3ccc(O)c(C(C)C)c3)c(C)c2)cc1.
What is the InChIKey of 1-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]-3-(4-methoxyphenyl)urea?
The InChIKey is YNARCAHAAAWSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4/c1-15(2)22-14-21(10-11-23(22)28)31-24-16(3)12-19(13-17(24)4)27-25(29)26-18-6-8-20(30-5)9-7-18/h6-15,28H,1-5H3,(H2,26,27,29).
What are the key properties of 1-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]-3-(4-methoxyphenyl)urea?
1-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]-3-(4-methoxyphenyl)urea has a molecular weight of 420.51 g/mol, XLogP of 6.58, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]-3-(4-methoxyphenyl)urea is sourced from PubChem (CID 142200724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).