1-(3-chloro-4-methyl-2-propan-2-yloxyphenyl)ethanol

C12H17ClO2 — CID 164895610

IUPAC1-(3-chloro-4-methyl-2-propan-2-yloxyphenyl)ethanol
SMILESCc1ccc(C(C)O)c(OC(C)C)c1Cl
InChIInChI=1S/C12H17ClO2/c1-7(2)15-12-10(9(4)14)6-5-8(3)11(12)13/h5-7,9,14H,1-4H3
InChIKeyVUOLBUJDJNFOOZ-UHFFFAOYSA-N
MW228.72 g/mol
LogP3.49
Rot. Bonds3

About 1-(3-chloro-4-methyl-2-propan-2-yloxyphenyl)ethanol

1-(3-chloro-4-methyl-2-propan-2-yloxyphenyl)ethanol (PubChem CID 164895610) has the molecular formula C12H17ClO2 and a molecular weight of 228.72 g/mol. Its IUPAC name is 1-(3-chloro-4-methyl-2-propan-2-yloxyphenyl)ethanol.

Molecular Properties

Compound Name1-(3-chloro-4-methyl-2-propan-2-yloxyphenyl)ethanol
PubChem CID164895610
Molecular FormulaC12H17ClO2
Molecular Weight228.72 g/mol
Exact Mass228.09
IUPAC Name1-(3-chloro-4-methyl-2-propan-2-yloxyphenyl)ethanol
SMILESCc1ccc(C(C)O)c(OC(C)C)c1Cl
InChIInChI=1S/C12H17ClO2/c1-7(2)15-12-10(9(4)14)6-5-8(3)11(12)13/h5-7,9,14H,1-4H3
InChIKeyVUOLBUJDJNFOOZ-UHFFFAOYSA-N
XLogP3.49
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-propan-2-yloxynaphthalen-2-yl)ethanol
CID 43504390
(1S)-1-(2,6-dichloro-3-methylphenyl)ethanol
CID 143190021
1-(2,3,4-trimethylphenyl)ethanol
CID 130125335
2,3-dichloro-1-methyl-4-propan-2-ylbenzene;osmium(2+)
CID 161089123
1-(2-bromo-3-methoxy-4-methylphenyl)ethanol
CID 117364093
1-(3-methoxy-4-methyl-2-propan-2-ylphenyl)ethanol
CID 117297929
(1S)-1-(4-chloronaphthalen-1-yl)ethanol
CID 82758359
1-(2-chloro-4-fluoro-3-methylphenyl)ethanol
CID 130090893
1-fluoro-2-methoxy-4-methyl-3-propan-2-yloxybenzene
CID 130057945
3-(3-chloro-2-methoxy-4-methylphenyl)butanal
CID 117326011
(2-chloro-3-methylphenyl)-(2-propan-2-yloxyphenyl)methanamine
CID 105018279
2-fluoro-6-(1-hydroxyethyl)-3-methylphenol
CID 117276805

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methyl-2-propan-2-yloxyphenyl)ethanol?
The IUPAC name of 1-(3-chloro-4-methyl-2-propan-2-yloxyphenyl)ethanol (CID 164895610) is 1-(3-chloro-4-methyl-2-propan-2-yloxyphenyl)ethanol.
What is the SMILES notation for 1-(3-chloro-4-methyl-2-propan-2-yloxyphenyl)ethanol?
The canonical SMILES for 1-(3-chloro-4-methyl-2-propan-2-yloxyphenyl)ethanol is Cc1ccc(C(C)O)c(OC(C)C)c1Cl.
What is the InChIKey of 1-(3-chloro-4-methyl-2-propan-2-yloxyphenyl)ethanol?
The InChIKey is VUOLBUJDJNFOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClO2/c1-7(2)15-12-10(9(4)14)6-5-8(3)11(12)13/h5-7,9,14H,1-4H3.
What are the key properties of 1-(3-chloro-4-methyl-2-propan-2-yloxyphenyl)ethanol?
1-(3-chloro-4-methyl-2-propan-2-yloxyphenyl)ethanol has a molecular weight of 228.72 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methyl-2-propan-2-yloxyphenyl)ethanol is sourced from PubChem (CID 164895610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).