(2-tert-butylphenyl)-(2-chlorophenyl)methanol

C17H19ClO — CID 114980515

IUPAC(2-tert-butylphenyl)-(2-chlorophenyl)methanol
SMILESCC(C)(C)c1ccccc1C(O)c1ccccc1Cl
InChIInChI=1S/C17H19ClO/c1-17(2,3)14-10-6-4-8-12(14)16(19)13-9-5-7-11-15(13)18/h4-11,16,19H,1-3H3
InChIKeyHXVMCWUQUSGKIA-UHFFFAOYSA-N
MW274.79 g/mol
LogP4.72
Rot. Bonds2

About (2-tert-butylphenyl)-(2-chlorophenyl)methanol

(2-tert-butylphenyl)-(2-chlorophenyl)methanol (PubChem CID 114980515) has the molecular formula C17H19ClO and a molecular weight of 274.79 g/mol. Its IUPAC name is (2-tert-butylphenyl)-(2-chlorophenyl)methanol.

Molecular Properties

Compound Name(2-tert-butylphenyl)-(2-chlorophenyl)methanol
PubChem CID114980515
Molecular FormulaC17H19ClO
Molecular Weight274.79 g/mol
Exact Mass274.11
IUPAC Name(2-tert-butylphenyl)-(2-chlorophenyl)methanol
SMILESCC(C)(C)c1ccccc1C(O)c1ccccc1Cl
InChIInChI=1S/C17H19ClO/c1-17(2,3)14-10-6-4-8-12(14)16(19)13-9-5-7-11-15(13)18/h4-11,16,19H,1-3H3
InChIKeyHXVMCWUQUSGKIA-UHFFFAOYSA-N
XLogP4.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.79
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-tert-butylphenyl)-(2-chloro-5-fluorophenyl)methanol
CID 105397590
(2-tert-butylphenyl)-(2-chloro-4,5-dimethylphenyl)methanol
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(2-tert-butylphenyl)-phenylmethanol
CID 19438357
(2-tert-butylphenyl)-(5-chloro-2-methoxyphenyl)methanol
CID 104546182
(2-tert-butylphenyl)-[3-[(2-tert-butylphenyl)-hydroxymethyl]phenyl]methanol
CID 170551631
(2-tert-butylphenyl)-(4-methyl-3-pyridinyl)methanol
CID 115817782
(2-tert-butylphenyl)-(2,3-dichlorophenyl)methanamine
CID 115851470
2-amino-1-(2-tert-butylphenyl)ethanol
CID 18627964
2-(2-chlorophenyl)propan-2-ol
CID 12759846
(S)-(2-chlorophenyl)-naphthalen-1-ylmethanol
CID 92533915
(R)-(2-chlorophenyl)-(4-methylphenyl)methanol
CID 7107251
(S)-(3-bromo-2-fluorophenyl)-(2-chlorophenyl)methanol
CID 129410443

Frequently Asked Questions

What is the IUPAC name of (2-tert-butylphenyl)-(2-chlorophenyl)methanol?
The IUPAC name of (2-tert-butylphenyl)-(2-chlorophenyl)methanol (CID 114980515) is (2-tert-butylphenyl)-(2-chlorophenyl)methanol.
What is the SMILES notation for (2-tert-butylphenyl)-(2-chlorophenyl)methanol?
The canonical SMILES for (2-tert-butylphenyl)-(2-chlorophenyl)methanol is CC(C)(C)c1ccccc1C(O)c1ccccc1Cl.
What is the InChIKey of (2-tert-butylphenyl)-(2-chlorophenyl)methanol?
The InChIKey is HXVMCWUQUSGKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClO/c1-17(2,3)14-10-6-4-8-12(14)16(19)13-9-5-7-11-15(13)18/h4-11,16,19H,1-3H3.
What are the key properties of (2-tert-butylphenyl)-(2-chlorophenyl)methanol?
(2-tert-butylphenyl)-(2-chlorophenyl)methanol has a molecular weight of 274.79 g/mol, XLogP of 4.72, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butylphenyl)-(2-chlorophenyl)methanol is sourced from PubChem (CID 114980515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).