1-(3-chloro-2-ethoxyphenyl)-3-(4-hydroxycyclohexyl)urea

C15H21ClN2O3 — CID 110902856

IUPAC1-(3-chloro-2-ethoxyphenyl)-3-(4-hydroxycyclohexyl)urea
SMILESCCOc1c(Cl)cccc1NC(=O)NC1CCC(O)CC1
InChIInChI=1S/C15H21ClN2O3/c1-2-21-14-12(16)4-3-5-13(14)18-15(20)17-10-6-8-11(19)9-7-10/h3-5,10-11,19H,2,6-9H2,1H3,(H2,17,18,20)
InChIKeyJQXVQJFJDVFGTA-UHFFFAOYSA-N
MW312.80 g/mol
LogP3.16
Rot. Bonds4

About 1-(3-chloro-2-ethoxyphenyl)-3-(4-hydroxycyclohexyl)urea

1-(3-chloro-2-ethoxyphenyl)-3-(4-hydroxycyclohexyl)urea (PubChem CID 110902856) has the molecular formula C15H21ClN2O3 and a molecular weight of 312.80 g/mol. Its IUPAC name is 1-(3-chloro-2-ethoxyphenyl)-3-(4-hydroxycyclohexyl)urea.

Molecular Properties

Compound Name1-(3-chloro-2-ethoxyphenyl)-3-(4-hydroxycyclohexyl)urea
PubChem CID110902856
Molecular FormulaC15H21ClN2O3
Molecular Weight312.80 g/mol
Exact Mass312.12
IUPAC Name1-(3-chloro-2-ethoxyphenyl)-3-(4-hydroxycyclohexyl)urea
SMILESCCOc1c(Cl)cccc1NC(=O)NC1CCC(O)CC1
InChIInChI=1S/C15H21ClN2O3/c1-2-21-14-12(16)4-3-5-13(14)18-15(20)17-10-6-8-11(19)9-7-10/h3-5,10-11,19H,2,6-9H2,1H3,(H2,17,18,20)
InChIKeyJQXVQJFJDVFGTA-UHFFFAOYSA-N
XLogP3.16
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-2-methoxyphenyl)-3-cyclohexylurea
CID 5148075
1-[2-(ethoxymethyl)phenyl]-3-(4-hydroxycyclohexyl)urea
CID 110902703
1-(3-chloro-2-ethoxyphenyl)-3-(2-hydroxyethyl)urea
CID 47442366
1-(4-hydroxycyclohexyl)-3-(2-propoxyphenyl)urea
CID 110890850
3-(3-chloro-2-ethoxyphenyl)-1-cyclopropyl-1-(2-hydroxyethyl)urea
CID 110903231
1-(3-chloro-2-ethoxyphenyl)-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111437655
1-(3-chloro-2-ethoxyphenyl)-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111103677
3-(3-chloro-2-ethoxyphenyl)-1-methoxy-1-methylurea
CID 150580379
1-(3-chloro-2-pyrazol-1-ylphenyl)-3-(4-hydroxycyclohexyl)urea
CID 110896821
1-(4-hydroxycyclohexyl)-3-[2-(phenoxymethyl)phenyl]urea
CID 60543205
1-(5-bromo-2-chlorophenyl)-3-(4-hydroxycyclohexyl)urea
CID 56824183
2-(3-chloro-2-ethoxyphenyl)-N-[3-(dimethylamino)cyclopentyl]acetamide
CID 91662652

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-ethoxyphenyl)-3-(4-hydroxycyclohexyl)urea?
The IUPAC name of 1-(3-chloro-2-ethoxyphenyl)-3-(4-hydroxycyclohexyl)urea (CID 110902856) is 1-(3-chloro-2-ethoxyphenyl)-3-(4-hydroxycyclohexyl)urea.
What is the SMILES notation for 1-(3-chloro-2-ethoxyphenyl)-3-(4-hydroxycyclohexyl)urea?
The canonical SMILES for 1-(3-chloro-2-ethoxyphenyl)-3-(4-hydroxycyclohexyl)urea is CCOc1c(Cl)cccc1NC(=O)NC1CCC(O)CC1.
What is the InChIKey of 1-(3-chloro-2-ethoxyphenyl)-3-(4-hydroxycyclohexyl)urea?
The InChIKey is JQXVQJFJDVFGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3/c1-2-21-14-12(16)4-3-5-13(14)18-15(20)17-10-6-8-11(19)9-7-10/h3-5,10-11,19H,2,6-9H2,1H3,(H2,17,18,20).
What are the key properties of 1-(3-chloro-2-ethoxyphenyl)-3-(4-hydroxycyclohexyl)urea?
1-(3-chloro-2-ethoxyphenyl)-3-(4-hydroxycyclohexyl)urea has a molecular weight of 312.80 g/mol, XLogP of 3.16, 4 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-(4-hydroxycyclohexyl)urea is sourced from PubChem (CID 110902856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).