1-(3-chloro-2-ethoxyphenyl)-3-(2-hydroxyethyl)urea

C11H15ClN2O3 — CID 47442366

IUPAC1-(3-chloro-2-ethoxyphenyl)-3-(2-hydroxyethyl)urea
SMILESCCOc1c(Cl)cccc1NC(=O)NCCO
InChIInChI=1S/C11H15ClN2O3/c1-2-17-10-8(12)4-3-5-9(10)14-11(16)13-6-7-15/h3-5,15H,2,6-7H2,1H3,(H2,13,14,16)
InChIKeyVRSGQLOGSCJDRJ-UHFFFAOYSA-N
MW258.70 g/mol
LogP1.85
Rot. Bonds5

About 1-(3-chloro-2-ethoxyphenyl)-3-(2-hydroxyethyl)urea

1-(3-chloro-2-ethoxyphenyl)-3-(2-hydroxyethyl)urea (PubChem CID 47442366) has the molecular formula C11H15ClN2O3 and a molecular weight of 258.70 g/mol. Its IUPAC name is 1-(3-chloro-2-ethoxyphenyl)-3-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-(3-chloro-2-ethoxyphenyl)-3-(2-hydroxyethyl)urea
PubChem CID47442366
Molecular FormulaC11H15ClN2O3
Molecular Weight258.70 g/mol
Exact Mass258.08
IUPAC Name1-(3-chloro-2-ethoxyphenyl)-3-(2-hydroxyethyl)urea
SMILESCCOc1c(Cl)cccc1NC(=O)NCCO
InChIInChI=1S/C11H15ClN2O3/c1-2-17-10-8(12)4-3-5-9(10)14-11(16)13-6-7-15/h3-5,15H,2,6-7H2,1H3,(H2,13,14,16)
InChIKeyVRSGQLOGSCJDRJ-UHFFFAOYSA-N
XLogP1.85
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.70
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-2-ethoxyphenyl)-3-[(1-hydroxycyclobutyl)methyl]urea
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1-(3-chloro-2-ethoxyphenyl)-3-[(1-hydroxycyclopentyl)methyl]urea
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1-[3-chloro-2-(dimethylamino)phenyl]-3-(2-hydroxyethyl)urea
CID 110894267
1-(3-chloro-2-propan-2-yloxyphenyl)-3-(3-hydroxypropyl)urea
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1-(3-chloro-2-ethoxyphenyl)-3-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]urea
CID 71972782
1-(3-chloro-2-ethoxyphenyl)-3-(4-hydroxycyclohexyl)urea
CID 110902856
3-(3-chloro-2-ethoxyphenyl)-1-methoxy-1-methylurea
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3-(3-chloro-2-ethoxyphenyl)-1-cyclopropyl-1-(2-hydroxyethyl)urea
CID 110903231
5-(3-chloro-2-ethoxyanilino)pentan-1-ol
CID 111770370
1-[3-(2-chlorophenoxy)propyl]-3-(2-ethoxyphenyl)urea
CID 108883575
1-(2,3-dichlorophenyl)-3-propylurea
CID 4654956
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CID 60594806

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-ethoxyphenyl)-3-(2-hydroxyethyl)urea?
The IUPAC name of 1-(3-chloro-2-ethoxyphenyl)-3-(2-hydroxyethyl)urea (CID 47442366) is 1-(3-chloro-2-ethoxyphenyl)-3-(2-hydroxyethyl)urea.
What is the SMILES notation for 1-(3-chloro-2-ethoxyphenyl)-3-(2-hydroxyethyl)urea?
The canonical SMILES for 1-(3-chloro-2-ethoxyphenyl)-3-(2-hydroxyethyl)urea is CCOc1c(Cl)cccc1NC(=O)NCCO.
What is the InChIKey of 1-(3-chloro-2-ethoxyphenyl)-3-(2-hydroxyethyl)urea?
The InChIKey is VRSGQLOGSCJDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O3/c1-2-17-10-8(12)4-3-5-9(10)14-11(16)13-6-7-15/h3-5,15H,2,6-7H2,1H3,(H2,13,14,16).
What are the key properties of 1-(3-chloro-2-ethoxyphenyl)-3-(2-hydroxyethyl)urea?
1-(3-chloro-2-ethoxyphenyl)-3-(2-hydroxyethyl)urea has a molecular weight of 258.70 g/mol, XLogP of 1.85, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-ethoxyphenyl)-3-(2-hydroxyethyl)urea is sourced from PubChem (CID 47442366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).