1-(2-chloro-3-methylphenyl)-2-propan-2-yloxyethanol

C12H17ClO2 — CID 115821571

IUPAC1-(2-chloro-3-methylphenyl)-2-propan-2-yloxyethanol
SMILESCc1cccc(C(O)COC(C)C)c1Cl
InChIInChI=1S/C12H17ClO2/c1-8(2)15-7-11(14)10-6-4-5-9(3)12(10)13/h4-6,8,11,14H,7H2,1-3H3
InChIKeyGAYGLZSDQWMUDF-UHFFFAOYSA-N
MW228.72 g/mol
LogP3.11
Rot. Bonds4

About 1-(2-chloro-3-methylphenyl)-2-propan-2-yloxyethanol

1-(2-chloro-3-methylphenyl)-2-propan-2-yloxyethanol (PubChem CID 115821571) has the molecular formula C12H17ClO2 and a molecular weight of 228.72 g/mol. Its IUPAC name is 1-(2-chloro-3-methylphenyl)-2-propan-2-yloxyethanol.

Molecular Properties

Compound Name1-(2-chloro-3-methylphenyl)-2-propan-2-yloxyethanol
PubChem CID115821571
Molecular FormulaC12H17ClO2
Molecular Weight228.72 g/mol
Exact Mass228.09
IUPAC Name1-(2-chloro-3-methylphenyl)-2-propan-2-yloxyethanol
SMILESCc1cccc(C(O)COC(C)C)c1Cl
InChIInChI=1S/C12H17ClO2/c1-8(2)15-7-11(14)10-6-4-5-9(3)12(10)13/h4-6,8,11,14H,7H2,1-3H3
InChIKeyGAYGLZSDQWMUDF-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-3,4-dimethoxyphenyl)-2-propan-2-yloxyethanol
CID 79566842
1-(2-iodophenyl)-2-propan-2-yloxyethanol
CID 115821533
1-(2-chloro-3-methylphenyl)pent-4-en-1-ol
CID 115804889
(1R,2R)-2-amino-1-(2-chloro-3-methylphenyl)propan-1-ol
CID 130826820
1-(3-chloro-4-methylthiophen-2-yl)-2-propan-2-yloxyethanol
CID 103408155
1-(2-methylthiophen-3-yl)-2-propan-2-yloxyethanol
CID 102842375
2-(4-chloro-2-fluorophenyl)-1-(2-chloro-3-methylphenyl)ethanol
CID 115839825
[1-(2-fluoro-3-methylphenyl)-2-propan-2-yloxyethyl]hydrazine
CID 105323816
2-(4-bromo-2-chlorophenyl)-1-(2-chloro-3-methylphenyl)ethanol
CID 115833929
1-[1-(2-methylphenyl)ethylamino]-3-propan-2-yloxypropan-2-ol
CID 60632479
2-(3-chlorophenoxy)-1-(2-methylphenyl)ethanol
CID 115766345
1-(2-chloro-3-methylphenyl)-3-methylbut-2-en-1-ol
CID 115817197

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-methylphenyl)-2-propan-2-yloxyethanol?
The IUPAC name of 1-(2-chloro-3-methylphenyl)-2-propan-2-yloxyethanol (CID 115821571) is 1-(2-chloro-3-methylphenyl)-2-propan-2-yloxyethanol.
What is the SMILES notation for 1-(2-chloro-3-methylphenyl)-2-propan-2-yloxyethanol?
The canonical SMILES for 1-(2-chloro-3-methylphenyl)-2-propan-2-yloxyethanol is Cc1cccc(C(O)COC(C)C)c1Cl.
What is the InChIKey of 1-(2-chloro-3-methylphenyl)-2-propan-2-yloxyethanol?
The InChIKey is GAYGLZSDQWMUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClO2/c1-8(2)15-7-11(14)10-6-4-5-9(3)12(10)13/h4-6,8,11,14H,7H2,1-3H3.
What are the key properties of 1-(2-chloro-3-methylphenyl)-2-propan-2-yloxyethanol?
1-(2-chloro-3-methylphenyl)-2-propan-2-yloxyethanol has a molecular weight of 228.72 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3-methylphenyl)-2-propan-2-yloxyethanol is sourced from PubChem (CID 115821571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).