1-(4-chloro-3-ethylphenoxy)propan-2-ol

C11H15ClO2 — CID 65277368

IUPAC1-(4-chloro-3-ethylphenoxy)propan-2-ol
SMILESCCc1cc(OCC(C)O)ccc1Cl
InChIInChI=1S/C11H15ClO2/c1-3-9-6-10(4-5-11(9)12)14-7-8(2)13/h4-6,8,13H,3,7H2,1-2H3
InChIKeyVQMSJJBFONDVBP-UHFFFAOYSA-N
MW214.69 g/mol
LogP2.66
Rot. Bonds4

About 1-(4-chloro-3-ethylphenoxy)propan-2-ol

1-(4-chloro-3-ethylphenoxy)propan-2-ol (PubChem CID 65277368) has the molecular formula C11H15ClO2 and a molecular weight of 214.69 g/mol. Its IUPAC name is 1-(4-chloro-3-ethylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(4-chloro-3-ethylphenoxy)propan-2-ol
PubChem CID65277368
Molecular FormulaC11H15ClO2
Molecular Weight214.69 g/mol
Exact Mass214.08
IUPAC Name1-(4-chloro-3-ethylphenoxy)propan-2-ol
SMILESCCc1cc(OCC(C)O)ccc1Cl
InChIInChI=1S/C11H15ClO2/c1-3-9-6-10(4-5-11(9)12)14-7-8(2)13/h4-6,8,13H,3,7H2,1-2H3
InChIKeyVQMSJJBFONDVBP-UHFFFAOYSA-N
XLogP2.66
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.69
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-3-ethylphenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 43247705
1-(2-aminophenyl)-2-(4-chloro-3-ethylphenoxy)ethanol
CID 62268105
2-(4-chloro-3-ethylphenoxy)-N,N-di(propan-2-yl)acetamide
CID 112775393
2-(4-chloro-3-ethylphenoxy)-N-propan-2-ylacetamide
CID 84602074
1-(4-chloro-3-ethylphenoxy)-2,3-dimethylbutan-2-ol
CID 114496029
1-(4-chloro-3-ethylphenoxy)-3-piperazin-1-ylpropan-2-ol
CID 65448136
2-(bromomethyl)-1-chloro-4-(2-ethylbutoxy)benzene
CID 86690419
4-(4-chloro-3-ethylphenoxy)-N-propan-2-ylbutan-1-amine
CID 62485010
2-[(4-chloro-3-ethylphenoxy)methyl]-N-propan-2-ylprop-2-en-1-amine
CID 103066944
(3S)-3-(4-chloro-3-ethylphenoxy)butanoic acid
CID 103547866
1-(4-chloro-3-ethylphenoxy)-3-phenylpropan-2-one
CID 62032160
(2R)-N-[2-(4-chloro-3-ethylphenoxy)ethyl]butan-2-amine
CID 2184559

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-ethylphenoxy)propan-2-ol?
The IUPAC name of 1-(4-chloro-3-ethylphenoxy)propan-2-ol (CID 65277368) is 1-(4-chloro-3-ethylphenoxy)propan-2-ol.
What is the SMILES notation for 1-(4-chloro-3-ethylphenoxy)propan-2-ol?
The canonical SMILES for 1-(4-chloro-3-ethylphenoxy)propan-2-ol is CCc1cc(OCC(C)O)ccc1Cl.
What is the InChIKey of 1-(4-chloro-3-ethylphenoxy)propan-2-ol?
The InChIKey is VQMSJJBFONDVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO2/c1-3-9-6-10(4-5-11(9)12)14-7-8(2)13/h4-6,8,13H,3,7H2,1-2H3.
What are the key properties of 1-(4-chloro-3-ethylphenoxy)propan-2-ol?
1-(4-chloro-3-ethylphenoxy)propan-2-ol has a molecular weight of 214.69 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-ethylphenoxy)propan-2-ol is sourced from PubChem (CID 65277368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).