1-(5-chloro-3-ethyl-2-methoxyphenyl)propan-2-ol

C12H17ClO2 — CID 117329700

IUPAC1-(5-chloro-3-ethyl-2-methoxyphenyl)propan-2-ol
SMILESCCc1cc(Cl)cc(CC(C)O)c1OC
InChIInChI=1S/C12H17ClO2/c1-4-9-6-11(13)7-10(5-8(2)14)12(9)15-3/h6-8,14H,4-5H2,1-3H3
InChIKeyAAHMHIRBPONJOY-UHFFFAOYSA-N
MW228.72 g/mol
LogP2.83
Rot. Bonds4

About 1-(5-chloro-3-ethyl-2-methoxyphenyl)propan-2-ol

1-(5-chloro-3-ethyl-2-methoxyphenyl)propan-2-ol (PubChem CID 117329700) has the molecular formula C12H17ClO2 and a molecular weight of 228.72 g/mol. Its IUPAC name is 1-(5-chloro-3-ethyl-2-methoxyphenyl)propan-2-ol.

Molecular Properties

Compound Name1-(5-chloro-3-ethyl-2-methoxyphenyl)propan-2-ol
PubChem CID117329700
Molecular FormulaC12H17ClO2
Molecular Weight228.72 g/mol
Exact Mass228.09
IUPAC Name1-(5-chloro-3-ethyl-2-methoxyphenyl)propan-2-ol
SMILESCCc1cc(Cl)cc(CC(C)O)c1OC
InChIInChI=1S/C12H17ClO2/c1-4-9-6-11(13)7-10(5-8(2)14)12(9)15-3/h6-8,14H,4-5H2,1-3H3
InChIKeyAAHMHIRBPONJOY-UHFFFAOYSA-N
XLogP2.83
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-2-methoxy-3-propan-2-ylphenyl)propan-2-ol
CID 117358952
1,5-dichloro-3-ethyl-2-methoxybenzene
CID 71215672
(5-chloro-3-ethyl-2-methoxyphenyl)phosphane
CID 142101436
1-(3,5-dichloro-2-methoxyphenyl)-2-methylheptan-4-one
CID 83941095
3-(5-chloro-2-methoxy-3-propan-2-ylphenyl)-2-methylpropanoic acid
CID 117430052
4-chloro-3-fluoro-6-(2-hydroxypropyl)-2-methoxyphenol
CID 117341360
1-(6-chloro-2-ethyl-3,4-dimethoxyphenyl)propan-2-ol
CID 117400677
1-(3-chloro-2-fluoro-4,5-dimethoxyphenyl)propan-2-ol
CID 117374936
(2S)-1-[3-ethyl-5-[5-(2-ethyl-6-methyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-methoxyphenyl]propan-2-ol
CID 175260512
2-[(5-chloro-2-methoxy-3-methylphenyl)methyl]butan-1-ol
CID 116930780
2-amino-3-(3,5-dichloro-2-methoxyphenyl)propanamide
CID 116850865
(3,5-dichloro-2-methoxyphenyl)methyl-[(2R)-2-hydroxypropyl]azanium
CID 7827915

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-3-ethyl-2-methoxyphenyl)propan-2-ol?
The IUPAC name of 1-(5-chloro-3-ethyl-2-methoxyphenyl)propan-2-ol (CID 117329700) is 1-(5-chloro-3-ethyl-2-methoxyphenyl)propan-2-ol.
What is the SMILES notation for 1-(5-chloro-3-ethyl-2-methoxyphenyl)propan-2-ol?
The canonical SMILES for 1-(5-chloro-3-ethyl-2-methoxyphenyl)propan-2-ol is CCc1cc(Cl)cc(CC(C)O)c1OC.
What is the InChIKey of 1-(5-chloro-3-ethyl-2-methoxyphenyl)propan-2-ol?
The InChIKey is AAHMHIRBPONJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClO2/c1-4-9-6-11(13)7-10(5-8(2)14)12(9)15-3/h6-8,14H,4-5H2,1-3H3.
What are the key properties of 1-(5-chloro-3-ethyl-2-methoxyphenyl)propan-2-ol?
1-(5-chloro-3-ethyl-2-methoxyphenyl)propan-2-ol has a molecular weight of 228.72 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-3-ethyl-2-methoxyphenyl)propan-2-ol is sourced from PubChem (CID 117329700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).