2-(4-chlorophenyl)-2-methylpropan-1-ol

C10H13ClO — CID 13034557

IUPAC2-(4-chlorophenyl)-2-methylpropan-1-ol
SMILESCC(C)(CO)c1ccc(Cl)cc1
InChIInChI=1S/C10H13ClO/c1-10(2,7-12)8-3-5-9(11)6-4-8/h3-6,12H,7H2,1-2H3
InChIKeyNJTICDHSNUXDFF-UHFFFAOYSA-N
MW184.67 g/mol
LogP2.61
Rot. Bonds2

About 2-(4-chlorophenyl)-2-methylpropan-1-ol

2-(4-chlorophenyl)-2-methylpropan-1-ol (PubChem CID 13034557) has the molecular formula C10H13ClO and a molecular weight of 184.67 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-methylpropan-1-ol
PubChem CID13034557
Molecular FormulaC10H13ClO
Molecular Weight184.67 g/mol
Exact Mass184.07
IUPAC Name2-(4-chlorophenyl)-2-methylpropan-1-ol
SMILESCC(C)(CO)c1ccc(Cl)cc1
InChIInChI=1S/C10H13ClO/c1-10(2,7-12)8-3-5-9(11)6-4-8/h3-6,12H,7H2,1-2H3
InChIKeyNJTICDHSNUXDFF-UHFFFAOYSA-N
XLogP2.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.67
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-methylpropan-1-ol?
The IUPAC name of 2-(4-chlorophenyl)-2-methylpropan-1-ol (CID 13034557) is 2-(4-chlorophenyl)-2-methylpropan-1-ol.
What is the SMILES notation for 2-(4-chlorophenyl)-2-methylpropan-1-ol?
The canonical SMILES for 2-(4-chlorophenyl)-2-methylpropan-1-ol is CC(C)(CO)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-2-methylpropan-1-ol?
The InChIKey is NJTICDHSNUXDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO/c1-10(2,7-12)8-3-5-9(11)6-4-8/h3-6,12H,7H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-2-methylpropan-1-ol?
2-(4-chlorophenyl)-2-methylpropan-1-ol has a molecular weight of 184.67 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-methylpropan-1-ol is sourced from PubChem (CID 13034557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).