[2-chloro-6-(2,3,6-trimethylphenoxy)phenyl]methanol

C16H17ClO2 — CID 43345619

IUPAC[2-chloro-6-(2,3,6-trimethylphenoxy)phenyl]methanol
SMILESCc1ccc(C)c(Oc2cccc(Cl)c2CO)c1C
InChIInChI=1S/C16H17ClO2/c1-10-7-8-11(2)16(12(10)3)19-15-6-4-5-14(17)13(15)9-18/h4-8,18H,9H2,1-3H3
InChIKeyYBWAFNCKMDFGDQ-UHFFFAOYSA-N
MW276.76 g/mol
LogP4.55
Rot. Bonds3

About [2-chloro-6-(2,3,6-trimethylphenoxy)phenyl]methanol

[2-chloro-6-(2,3,6-trimethylphenoxy)phenyl]methanol (PubChem CID 43345619) has the molecular formula C16H17ClO2 and a molecular weight of 276.76 g/mol. Its IUPAC name is [2-chloro-6-(2,3,6-trimethylphenoxy)phenyl]methanol.

Molecular Properties

Compound Name[2-chloro-6-(2,3,6-trimethylphenoxy)phenyl]methanol
PubChem CID43345619
Molecular FormulaC16H17ClO2
Molecular Weight276.76 g/mol
Exact Mass276.09
IUPAC Name[2-chloro-6-(2,3,6-trimethylphenoxy)phenyl]methanol
SMILESCc1ccc(C)c(Oc2cccc(Cl)c2CO)c1C
InChIInChI=1S/C16H17ClO2/c1-10-7-8-11(2)16(12(10)3)19-15-6-4-5-14(17)13(15)9-18/h4-8,18H,9H2,1-3H3
InChIKeyYBWAFNCKMDFGDQ-UHFFFAOYSA-N
XLogP4.55
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.76
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-6-(2,3,6-trimethylphenoxy)benzaldehyde
CID 43167605
2-chloro-N'-hydroxy-6-(2,3,6-trimethylphenoxy)benzenecarboximidamide
CID 76997687
(2-chloro-6-pentan-3-yloxyphenyl)methanol
CID 114320524
[2-chloro-6-(4-methylsulfonylphenoxy)phenyl]methanol
CID 43807134
[2-(2-tert-butyl-4-methylphenoxy)-6-chlorophenyl]methanol
CID 28945992
[4-[3-chloro-2-(hydroxymethyl)phenoxy]-3-methoxyphenyl]methanol
CID 107743505
[2-chloro-6-[3-(dimethylamino)propoxy]phenyl]methanol
CID 114525693
4-[3-chloro-2-(hydroxymethyl)phenoxy]-2-methylbutan-2-ol
CID 114320455
2-[3-chloro-2-(hydroxymethyl)phenoxy]-N-propan-2-ylpropanamide
CID 113276915
ethyl 2-[3-chloro-2-(hydroxymethyl)phenoxy]butanoate
CID 113276891
[6-methyl-4-(2,3,6-trimethylphenoxy)-3-pyridinyl]methanol
CID 81238111
3-[3-chloro-2-(hydroxymethyl)phenoxy]propane-1,2-diol
CID 82850685

Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-(2,3,6-trimethylphenoxy)phenyl]methanol?
The IUPAC name of [2-chloro-6-(2,3,6-trimethylphenoxy)phenyl]methanol (CID 43345619) is [2-chloro-6-(2,3,6-trimethylphenoxy)phenyl]methanol.
What is the SMILES notation for [2-chloro-6-(2,3,6-trimethylphenoxy)phenyl]methanol?
The canonical SMILES for [2-chloro-6-(2,3,6-trimethylphenoxy)phenyl]methanol is Cc1ccc(C)c(Oc2cccc(Cl)c2CO)c1C.
What is the InChIKey of [2-chloro-6-(2,3,6-trimethylphenoxy)phenyl]methanol?
The InChIKey is YBWAFNCKMDFGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClO2/c1-10-7-8-11(2)16(12(10)3)19-15-6-4-5-14(17)13(15)9-18/h4-8,18H,9H2,1-3H3.
What are the key properties of [2-chloro-6-(2,3,6-trimethylphenoxy)phenyl]methanol?
[2-chloro-6-(2,3,6-trimethylphenoxy)phenyl]methanol has a molecular weight of 276.76 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-6-(2,3,6-trimethylphenoxy)phenyl]methanol is sourced from PubChem (CID 43345619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).