[2-(2-tert-butyl-4-methylphenoxy)-6-chlorophenyl]methanol

C18H21ClO2 — CID 28945992

IUPAC[2-(2-tert-butyl-4-methylphenoxy)-6-chlorophenyl]methanol
SMILESCc1ccc(Oc2cccc(Cl)c2CO)c(C(C)(C)C)c1
InChIInChI=1S/C18H21ClO2/c1-12-8-9-17(14(10-12)18(2,3)4)21-16-7-5-6-15(19)13(16)11-20/h5-10,20H,11H2,1-4H3
InChIKeyNJKJPKLBUOBTJZ-UHFFFAOYSA-N
MW304.82 g/mol
LogP5.23
Rot. Bonds3

About [2-(2-tert-butyl-4-methylphenoxy)-6-chlorophenyl]methanol

[2-(2-tert-butyl-4-methylphenoxy)-6-chlorophenyl]methanol (PubChem CID 28945992) has the molecular formula C18H21ClO2 and a molecular weight of 304.82 g/mol. Its IUPAC name is [2-(2-tert-butyl-4-methylphenoxy)-6-chlorophenyl]methanol.

Molecular Properties

Compound Name[2-(2-tert-butyl-4-methylphenoxy)-6-chlorophenyl]methanol
PubChem CID28945992
Molecular FormulaC18H21ClO2
Molecular Weight304.82 g/mol
Exact Mass304.12
IUPAC Name[2-(2-tert-butyl-4-methylphenoxy)-6-chlorophenyl]methanol
SMILESCc1ccc(Oc2cccc(Cl)c2CO)c(C(C)(C)C)c1
InChIInChI=1S/C18H21ClO2/c1-12-8-9-17(14(10-12)18(2,3)4)21-16-7-5-6-15(19)13(16)11-20/h5-10,20H,11H2,1-4H3
InChIKeyNJKJPKLBUOBTJZ-UHFFFAOYSA-N
XLogP5.23
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.82
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(bromomethyl)-3-chlorophenoxy]-2-tert-butyl-4-methylbenzene
CID 107086562
1-tert-butyl-2-[3-chloro-2-(chloromethyl)phenoxy]-4-methylbenzene
CID 63565889
[4-[3-chloro-2-(hydroxymethyl)phenoxy]-3-methoxyphenyl]methanol
CID 107743505
4-(2-tert-butyl-4-methylphenoxy)-3,5-dichloroaniline
CID 106890935
(2-chloro-6-pentan-3-yloxyphenyl)methanol
CID 114320524
[2-chloro-6-(2,3,6-trimethylphenoxy)phenyl]methanol
CID 43345619
1-chloro-2-(chloromethyl)-3-(2,5-dimethylphenoxy)benzene
CID 28947175
[3-(2-tert-butyl-4-methylphenoxy)-5-fluorophenyl]methanol
CID 106530108
4-[3-chloro-2-(hydroxymethyl)phenoxy]-2-methylbutan-2-ol
CID 114320455
[2-chloro-6-(2,5-dimethylphenoxy)phenyl]methanamine
CID 28966143
6-(2-tert-butyl-4-methylphenoxy)-3-chloro-2-(chloromethyl)pyridine
CID 63446405
2-[3-chloro-2-(hydroxymethyl)phenoxy]-N-propan-2-ylpropanamide
CID 113276915

Frequently Asked Questions

What is the IUPAC name of [2-(2-tert-butyl-4-methylphenoxy)-6-chlorophenyl]methanol?
The IUPAC name of [2-(2-tert-butyl-4-methylphenoxy)-6-chlorophenyl]methanol (CID 28945992) is [2-(2-tert-butyl-4-methylphenoxy)-6-chlorophenyl]methanol.
What is the SMILES notation for [2-(2-tert-butyl-4-methylphenoxy)-6-chlorophenyl]methanol?
The canonical SMILES for [2-(2-tert-butyl-4-methylphenoxy)-6-chlorophenyl]methanol is Cc1ccc(Oc2cccc(Cl)c2CO)c(C(C)(C)C)c1.
What is the InChIKey of [2-(2-tert-butyl-4-methylphenoxy)-6-chlorophenyl]methanol?
The InChIKey is NJKJPKLBUOBTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClO2/c1-12-8-9-17(14(10-12)18(2,3)4)21-16-7-5-6-15(19)13(16)11-20/h5-10,20H,11H2,1-4H3.
What are the key properties of [2-(2-tert-butyl-4-methylphenoxy)-6-chlorophenyl]methanol?
[2-(2-tert-butyl-4-methylphenoxy)-6-chlorophenyl]methanol has a molecular weight of 304.82 g/mol, XLogP of 5.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-tert-butyl-4-methylphenoxy)-6-chlorophenyl]methanol is sourced from PubChem (CID 28945992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).