1-[3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]-3-cyclohexylurea

C17H25ClN2O3 — CID 119060836

IUPAC1-[3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]-3-cyclohexylurea
SMILESCc1cc(OCC(O)CNC(=O)NC2CCCCC2)ccc1Cl
InChIInChI=1S/C17H25ClN2O3/c1-12-9-15(7-8-16(12)18)23-11-14(21)10-19-17(22)20-13-5-3-2-4-6-13/h7-9,13-14,21H,2-6,10-11H2,1H3,(H2,19,20,22)
InChIKeyWQFSCOBDEMRCCF-UHFFFAOYSA-N
MW340.85 g/mol
LogP3.02
Rot. Bonds6

About 1-[3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]-3-cyclohexylurea

1-[3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]-3-cyclohexylurea (PubChem CID 119060836) has the molecular formula C17H25ClN2O3 and a molecular weight of 340.85 g/mol. Its IUPAC name is 1-[3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]-3-cyclohexylurea.

Molecular Properties

Compound Name1-[3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]-3-cyclohexylurea
PubChem CID119060836
Molecular FormulaC17H25ClN2O3
Molecular Weight340.85 g/mol
Exact Mass340.16
IUPAC Name1-[3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]-3-cyclohexylurea
SMILESCc1cc(OCC(O)CNC(=O)NC2CCCCC2)ccc1Cl
InChIInChI=1S/C17H25ClN2O3/c1-12-9-15(7-8-16(12)18)23-11-14(21)10-19-17(22)20-13-5-3-2-4-6-13/h7-9,13-14,21H,2-6,10-11H2,1H3,(H2,19,20,22)
InChIKeyWQFSCOBDEMRCCF-UHFFFAOYSA-N
XLogP3.02
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.85
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-3-[(2S)-2-hydroxy-3-(3-methoxyphenoxy)propyl]urea
CID 126437318
1-[3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]-3-[1-(methoxymethyl)cyclopentyl]urea
CID 122560545
1-(4-chloro-3-methylphenoxy)-3-(piperidin-1-ylamino)propan-2-ol
CID 83013958
(2R)-1-(4-chloro-3-methylphenoxy)-3-[[(1R)-1-cyclopropylethyl]amino]propan-2-ol
CID 39840286
1-(4-chloro-3-methylphenoxy)-3-(ethylamino)propan-2-ol
CID 43166207
1-cyclopropyl-3-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]urea
CID 110904584
1-(cyclopentylamino)-3-(3,4-dimethylphenoxy)propan-2-ol
CID 2967956
1-(4-chloro-3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 60635656
1-(tert-butylamino)-3-(4-chloro-3-methylphenoxy)propan-2-ol;hydrochloride
CID 2770422
N-[3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]pyridine-3-carboxamide
CID 56757268
N-[(2S)-3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide
CID 97139392
N-[3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide
CID 131909123

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]-3-cyclohexylurea?
The IUPAC name of 1-[3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]-3-cyclohexylurea (CID 119060836) is 1-[3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]-3-cyclohexylurea.
What is the SMILES notation for 1-[3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]-3-cyclohexylurea?
The canonical SMILES for 1-[3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]-3-cyclohexylurea is Cc1cc(OCC(O)CNC(=O)NC2CCCCC2)ccc1Cl.
What is the InChIKey of 1-[3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]-3-cyclohexylurea?
The InChIKey is WQFSCOBDEMRCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O3/c1-12-9-15(7-8-16(12)18)23-11-14(21)10-19-17(22)20-13-5-3-2-4-6-13/h7-9,13-14,21H,2-6,10-11H2,1H3,(H2,19,20,22).
What are the key properties of 1-[3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]-3-cyclohexylurea?
1-[3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]-3-cyclohexylurea has a molecular weight of 340.85 g/mol, XLogP of 3.02, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]-3-cyclohexylurea is sourced from PubChem (CID 119060836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).