2-(3-chlorophenoxy)-1-(2,4,5-trimethylphenyl)propan-1-ol

C18H21ClO2 — CID 105103501

IUPAC2-(3-chlorophenoxy)-1-(2,4,5-trimethylphenyl)propan-1-ol
SMILESCc1cc(C)c(C(O)C(C)Oc2cccc(Cl)c2)cc1C
InChIInChI=1S/C18H21ClO2/c1-11-8-13(3)17(9-12(11)2)18(20)14(4)21-16-7-5-6-15(19)10-16/h5-10,14,18,20H,1-4H3
InChIKeyXNLCMCLEVHNYQX-UHFFFAOYSA-N
MW304.82 g/mol
LogP4.77
Rot. Bonds4

About 2-(3-chlorophenoxy)-1-(2,4,5-trimethylphenyl)propan-1-ol

2-(3-chlorophenoxy)-1-(2,4,5-trimethylphenyl)propan-1-ol (PubChem CID 105103501) has the molecular formula C18H21ClO2 and a molecular weight of 304.82 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-1-(2,4,5-trimethylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-1-(2,4,5-trimethylphenyl)propan-1-ol
PubChem CID105103501
Molecular FormulaC18H21ClO2
Molecular Weight304.82 g/mol
Exact Mass304.12
IUPAC Name2-(3-chlorophenoxy)-1-(2,4,5-trimethylphenyl)propan-1-ol
SMILESCc1cc(C)c(C(O)C(C)Oc2cccc(Cl)c2)cc1C
InChIInChI=1S/C18H21ClO2/c1-11-8-13(3)17(9-12(11)2)18(20)14(4)21-16-7-5-6-15(19)10-16/h5-10,14,18,20H,1-4H3
InChIKeyXNLCMCLEVHNYQX-UHFFFAOYSA-N
XLogP4.77
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chlorophenoxy)-1-(4-methyl-3-pyridinyl)propan-1-ol
CID 105110798
2-(3-chlorophenoxy)-1-(2-fluorophenyl)propan-1-ol
CID 105083853
2-(3-chlorophenoxy)-1-(4-fluoro-3-methylphenyl)propan-1-ol
CID 105093982
2-(3-chlorophenoxy)-1-pyrimidin-5-ylpropan-1-ol
CID 105083696
4-(3-chlorophenoxy)-2,2-dimethylpentan-3-ol
CID 105096700
4-(3-chlorophenoxy)-2-methylpent-1-en-3-ol
CID 105110444
2-(3-chlorophenoxy)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-ol
CID 102649827
3-(3-chlorophenoxy)-1-(5-fluoro-2-methylphenyl)butan-2-ol
CID 105377681
1-(3-bromothiophen-2-yl)-2-(3-chlorophenoxy)propan-1-ol
CID 105119310
2-(3-chlorophenoxy)-1-(2-methylphenyl)propan-1-amine
CID 105094671
3-(3-chlorophenoxy)-1-(4-fluoro-2-methylphenyl)butan-2-ol
CID 105131249
1-(4-bromo-1-methylpyrazol-5-yl)-2-(3-chlorophenoxy)propan-1-ol
CID 105132444

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-1-(2,4,5-trimethylphenyl)propan-1-ol?
The IUPAC name of 2-(3-chlorophenoxy)-1-(2,4,5-trimethylphenyl)propan-1-ol (CID 105103501) is 2-(3-chlorophenoxy)-1-(2,4,5-trimethylphenyl)propan-1-ol.
What is the SMILES notation for 2-(3-chlorophenoxy)-1-(2,4,5-trimethylphenyl)propan-1-ol?
The canonical SMILES for 2-(3-chlorophenoxy)-1-(2,4,5-trimethylphenyl)propan-1-ol is Cc1cc(C)c(C(O)C(C)Oc2cccc(Cl)c2)cc1C.
What is the InChIKey of 2-(3-chlorophenoxy)-1-(2,4,5-trimethylphenyl)propan-1-ol?
The InChIKey is XNLCMCLEVHNYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClO2/c1-11-8-13(3)17(9-12(11)2)18(20)14(4)21-16-7-5-6-15(19)10-16/h5-10,14,18,20H,1-4H3.
What are the key properties of 2-(3-chlorophenoxy)-1-(2,4,5-trimethylphenyl)propan-1-ol?
2-(3-chlorophenoxy)-1-(2,4,5-trimethylphenyl)propan-1-ol has a molecular weight of 304.82 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-1-(2,4,5-trimethylphenyl)propan-1-ol is sourced from PubChem (CID 105103501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).