1-(4-chlorophenyl)-3-methylbutan-2-ol

C11H15ClO — CID 60797754

IUPAC1-(4-chlorophenyl)-3-methylbutan-2-ol
SMILESCC(C)C(O)Cc1ccc(Cl)cc1
InChIInChI=1S/C11H15ClO/c1-8(2)11(13)7-9-3-5-10(12)6-4-9/h3-6,8,11,13H,7H2,1-2H3
InChIKeyCBAJDMVADUVMKD-UHFFFAOYSA-N
MW198.69 g/mol
LogP2.90
Rot. Bonds3

About 1-(4-chlorophenyl)-3-methylbutan-2-ol

1-(4-chlorophenyl)-3-methylbutan-2-ol (PubChem CID 60797754) has the molecular formula C11H15ClO and a molecular weight of 198.69 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-methylbutan-2-ol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-methylbutan-2-ol
PubChem CID60797754
Molecular FormulaC11H15ClO
Molecular Weight198.69 g/mol
Exact Mass198.08
IUPAC Name1-(4-chlorophenyl)-3-methylbutan-2-ol
SMILESCC(C)C(O)Cc1ccc(Cl)cc1
InChIInChI=1S/C11H15ClO/c1-8(2)11(13)7-9-3-5-10(12)6-4-9/h3-6,8,11,13H,7H2,1-2H3
InChIKeyCBAJDMVADUVMKD-UHFFFAOYSA-N
XLogP2.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.69
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-3-chloro-4-(4-chlorophenyl)butan-2-ol
CID 131029128
1,3-bis(4-chlorophenyl)propan-2-ol
CID 19824078
2-(4-chlorophenyl)-1-(4-propan-2-ylphenyl)ethanol
CID 60797871
3-(4-chlorophenyl)-1,1-diethoxypropan-2-ol
CID 79495652
1-(4-chlorophenyl)-3-methylbutan-2-amine
CID 50986534
[(2R)-1-(4-chlorophenyl)propan-2-yl]azanium
CID 6927062
1-(4-chlorophenyl)propan-2-amine
CID 3127
1-chloro-4-(2-nitrosopropyl)benzene
CID 134994118
1-(4-chlorophenyl)-3-(4-methylphenyl)propan-2-ol
CID 60798023
(4-chlorophenyl)methyl-trihydroxyphosphanium
CID 57315316
1-(4-chlorophenyl)-4-methylhexan-2-ol
CID 62607986
(2S)-1-[[(2R)-1-(4-chlorophenyl)propan-2-yl]amino]propan-2-ol
CID 124515229

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-methylbutan-2-ol?
The IUPAC name of 1-(4-chlorophenyl)-3-methylbutan-2-ol (CID 60797754) is 1-(4-chlorophenyl)-3-methylbutan-2-ol.
What is the SMILES notation for 1-(4-chlorophenyl)-3-methylbutan-2-ol?
The canonical SMILES for 1-(4-chlorophenyl)-3-methylbutan-2-ol is CC(C)C(O)Cc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-methylbutan-2-ol?
The InChIKey is CBAJDMVADUVMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO/c1-8(2)11(13)7-9-3-5-10(12)6-4-9/h3-6,8,11,13H,7H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-3-methylbutan-2-ol?
1-(4-chlorophenyl)-3-methylbutan-2-ol has a molecular weight of 198.69 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-methylbutan-2-ol is sourced from PubChem (CID 60797754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).