[4-chloro-2-(5-methyl-2-propan-2-ylphenoxy)phenyl]methanol

C17H19ClO2 — CID 114846021

IUPAC[4-chloro-2-(5-methyl-2-propan-2-ylphenoxy)phenyl]methanol
SMILESCc1ccc(C(C)C)c(Oc2cc(Cl)ccc2CO)c1
InChIInChI=1S/C17H19ClO2/c1-11(2)15-7-4-12(3)8-17(15)20-16-9-14(18)6-5-13(16)10-19/h4-9,11,19H,10H2,1-3H3
InChIKeyRMNKLAALWFZPTH-UHFFFAOYSA-N
MW290.79 g/mol
LogP5.06
Rot. Bonds4

About [4-chloro-2-(5-methyl-2-propan-2-ylphenoxy)phenyl]methanol

[4-chloro-2-(5-methyl-2-propan-2-ylphenoxy)phenyl]methanol (PubChem CID 114846021) has the molecular formula C17H19ClO2 and a molecular weight of 290.79 g/mol. Its IUPAC name is [4-chloro-2-(5-methyl-2-propan-2-ylphenoxy)phenyl]methanol.

Molecular Properties

Compound Name[4-chloro-2-(5-methyl-2-propan-2-ylphenoxy)phenyl]methanol
PubChem CID114846021
Molecular FormulaC17H19ClO2
Molecular Weight290.79 g/mol
Exact Mass290.11
IUPAC Name[4-chloro-2-(5-methyl-2-propan-2-ylphenoxy)phenyl]methanol
SMILESCc1ccc(C(C)C)c(Oc2cc(Cl)ccc2CO)c1
InChIInChI=1S/C17H19ClO2/c1-11(2)15-7-4-12(3)8-17(15)20-16-9-14(18)6-5-13(16)10-19/h4-9,11,19H,10H2,1-3H3
InChIKeyRMNKLAALWFZPTH-UHFFFAOYSA-N
XLogP5.06
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.79
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-methyl-6-(5-methyl-2-propan-2-ylphenoxy)pyrimidine
CID 62481702
[3-fluoro-2-(5-methyl-2-propan-2-ylphenoxy)-4-pyridinyl]methanol
CID 105383255
[4-chloro-2-(4-chlorophenoxy)phenyl]methanol
CID 86078233
4-chloro-2-[(5-methyl-2-propan-2-ylphenoxy)methyl]aniline
CID 79582501
[2-(4-bromo-2-propan-2-ylphenoxy)-5-chlorophenyl]methanol
CID 114846232
5-(chloromethyl)-1,3-difluoro-2-(5-methyl-2-propan-2-ylphenoxy)benzene
CID 63567841
N-[(2,4-dichlorophenyl)methyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 46762453
[2-(4-butan-2-ylphenoxy)-4-chlorophenyl]methanol
CID 107665830
1-[4-chloro-2-(2-propan-2-ylphenoxy)phenyl]propan-2-amine
CID 114862989
[6-methyl-4-(5-methyl-2-propan-2-ylphenoxy)-3-pyridinyl]methanamine
CID 81250497
(1S)-1-[2-[(5-chloro-2-fluorophenyl)methoxy]-4-methylphenyl]ethanol
CID 103046969
[4,6-dimethyl-2-(5-methyl-2-propan-2-ylphenoxy)-3-pyridinyl]methanol
CID 61256294

Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-(5-methyl-2-propan-2-ylphenoxy)phenyl]methanol?
The IUPAC name of [4-chloro-2-(5-methyl-2-propan-2-ylphenoxy)phenyl]methanol (CID 114846021) is [4-chloro-2-(5-methyl-2-propan-2-ylphenoxy)phenyl]methanol.
What is the SMILES notation for [4-chloro-2-(5-methyl-2-propan-2-ylphenoxy)phenyl]methanol?
The canonical SMILES for [4-chloro-2-(5-methyl-2-propan-2-ylphenoxy)phenyl]methanol is Cc1ccc(C(C)C)c(Oc2cc(Cl)ccc2CO)c1.
What is the InChIKey of [4-chloro-2-(5-methyl-2-propan-2-ylphenoxy)phenyl]methanol?
The InChIKey is RMNKLAALWFZPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClO2/c1-11(2)15-7-4-12(3)8-17(15)20-16-9-14(18)6-5-13(16)10-19/h4-9,11,19H,10H2,1-3H3.
What are the key properties of [4-chloro-2-(5-methyl-2-propan-2-ylphenoxy)phenyl]methanol?
[4-chloro-2-(5-methyl-2-propan-2-ylphenoxy)phenyl]methanol has a molecular weight of 290.79 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-(5-methyl-2-propan-2-ylphenoxy)phenyl]methanol is sourced from PubChem (CID 114846021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).