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

C30H30N2O3 — CID 142200728

IUPAC3-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]-1,1-diphenylurea
SMILESCc1cc(NC(=O)N(c2ccccc2)c2ccccc2)cc(C)c1Oc1ccc(O)c(C(C)C)c1
InChIInChI=1S/C30H30N2O3/c1-20(2)27-19-26(15-16-28(27)33)35-29-21(3)17-23(18-22(29)4)31-30(34)32(24-11-7-5-8-12-24)25-13-9-6-10-14-25/h5-20,33H,1-4H3,(H,31,34)
InChIKeyJTFZIYBYSLMORN-UHFFFAOYSA-N
MW466.58 g/mol
LogP8.29
Rot. Bonds6

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

3-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]-1,1-diphenylurea (PubChem CID 142200728) has the molecular formula C30H30N2O3 and a molecular weight of 466.58 g/mol. Its IUPAC name is 3-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]-1,1-diphenylurea.

Molecular Properties

Compound Name3-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]-1,1-diphenylurea
PubChem CID142200728
Molecular FormulaC30H30N2O3
Molecular Weight466.58 g/mol
Exact Mass466.23
IUPAC Name3-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]-1,1-diphenylurea
SMILESCc1cc(NC(=O)N(c2ccccc2)c2ccccc2)cc(C)c1Oc1ccc(O)c(C(C)C)c1
InChIInChI=1S/C30H30N2O3/c1-20(2)27-19-26(15-16-28(27)33)35-29-21(3)17-23(18-22(29)4)31-30(34)32(24-11-7-5-8-12-24)25-13-9-6-10-14-25/h5-20,33H,1-4H3,(H,31,34)
InChIKeyJTFZIYBYSLMORN-UHFFFAOYSA-N
XLogP8.29
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.58
LogP ≤ 58.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]-3-phenoxybenzamide
CID 142200753
1-(3,5-dimethylphenyl)-3-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]urea
CID 10112746
formaldehyde;N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]acetamide;methanol
CID 143340424
1-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]-3-(4-methoxyphenyl)urea
CID 142200724
2-acetamido-N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]acetamide
CID 142200859
(4-methoxyphenyl) N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]carbamate
CID 142200774
4-[4-(benzylsulfanylamino)-2,6-dimethylphenoxy]-2-propan-2-ylphenol
CID 142200793
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]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 142200803
4-(2,6-dimethylphenoxy)-2-propan-2-ylphenol
CID 90980737
4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenol
CID 25150421
1-(4-chloro-5-cyano-1,3-thiazol-2-yl)-3-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]-1-methylurea
CID 142200748

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]-1,1-diphenylurea?
The IUPAC name of 3-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]-1,1-diphenylurea (CID 142200728) is 3-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]-1,1-diphenylurea.
What is the SMILES notation for 3-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]-1,1-diphenylurea?
The canonical SMILES for 3-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]-1,1-diphenylurea is Cc1cc(NC(=O)N(c2ccccc2)c2ccccc2)cc(C)c1Oc1ccc(O)c(C(C)C)c1.
What is the InChIKey of 3-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]-1,1-diphenylurea?
The InChIKey is JTFZIYBYSLMORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N2O3/c1-20(2)27-19-26(15-16-28(27)33)35-29-21(3)17-23(18-22(29)4)31-30(34)32(24-11-7-5-8-12-24)25-13-9-6-10-14-25/h5-20,33H,1-4H3,(H,31,34).
What are the key properties of 3-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]-1,1-diphenylurea?
3-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]-1,1-diphenylurea has a molecular weight of 466.58 g/mol, XLogP of 8.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]-1,1-diphenylurea is sourced from PubChem (CID 142200728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).