[2-(4-butan-2-ylphenoxy)-4-chlorophenyl]methanol

C17H19ClO2 — CID 107665830

IUPAC[2-(4-butan-2-ylphenoxy)-4-chlorophenyl]methanol
SMILESCCC(C)c1ccc(Oc2cc(Cl)ccc2CO)cc1
InChIInChI=1S/C17H19ClO2/c1-3-12(2)13-5-8-16(9-6-13)20-17-10-15(18)7-4-14(17)11-19/h4-10,12,19H,3,11H2,1-2H3
InChIKeyJMNJCAPJNCNSKH-UHFFFAOYSA-N
MW290.79 g/mol
LogP5.14
Rot. Bonds5

About [2-(4-butan-2-ylphenoxy)-4-chlorophenyl]methanol

[2-(4-butan-2-ylphenoxy)-4-chlorophenyl]methanol (PubChem CID 107665830) has the molecular formula C17H19ClO2 and a molecular weight of 290.79 g/mol. Its IUPAC name is [2-(4-butan-2-ylphenoxy)-4-chlorophenyl]methanol.

Molecular Properties

Compound Name[2-(4-butan-2-ylphenoxy)-4-chlorophenyl]methanol
PubChem CID107665830
Molecular FormulaC17H19ClO2
Molecular Weight290.79 g/mol
Exact Mass290.11
IUPAC Name[2-(4-butan-2-ylphenoxy)-4-chlorophenyl]methanol
SMILESCCC(C)c1ccc(Oc2cc(Cl)ccc2CO)cc1
InChIInChI=1S/C17H19ClO2/c1-3-12(2)13-5-8-16(9-6-13)20-17-10-15(18)7-4-14(17)11-19/h4-10,12,19H,3,11H2,1-2H3
InChIKeyJMNJCAPJNCNSKH-UHFFFAOYSA-N
XLogP5.14
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.79
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-chloro-2-(4-chlorophenoxy)phenyl]methanol
CID 86078233
1-(4-butan-2-ylphenoxy)-4-chloro-2-(chloromethyl)benzene
CID 107666188
[4-chloro-2-(4-propan-2-ylphenoxy)phenyl]methanamine
CID 63456564
4-[5-chloro-2-(hydroxymethyl)phenoxy]benzonitrile
CID 114846043
1-butan-2-yl-4-(3-chlorophenoxy)benzene
CID 90872043
[2-(4-butan-2-ylphenoxy)-4-methoxyphenyl]methanamine
CID 107663612
1-(4-butan-2-ylphenoxy)-3-chloro-2-(chloromethyl)benzene
CID 107666166
(1R)-1-[4-(4-butan-2-ylphenoxy)-3-fluorophenyl]ethanol
CID 107665857
[4-[5-chloro-2-(methylaminomethyl)phenoxy]phenyl]methanol
CID 114856813
1-butan-2-yl-4-chlorobenzene;ethane
CID 91162250
[4-chloro-2-(5-methyl-2-propan-2-ylphenoxy)phenyl]methanol
CID 114846021
[4-chloro-2-(1-propylpyrazol-4-yl)oxyphenyl]methanol
CID 114846259

Frequently Asked Questions

What is the IUPAC name of [2-(4-butan-2-ylphenoxy)-4-chlorophenyl]methanol?
The IUPAC name of [2-(4-butan-2-ylphenoxy)-4-chlorophenyl]methanol (CID 107665830) is [2-(4-butan-2-ylphenoxy)-4-chlorophenyl]methanol.
What is the SMILES notation for [2-(4-butan-2-ylphenoxy)-4-chlorophenyl]methanol?
The canonical SMILES for [2-(4-butan-2-ylphenoxy)-4-chlorophenyl]methanol is CCC(C)c1ccc(Oc2cc(Cl)ccc2CO)cc1.
What is the InChIKey of [2-(4-butan-2-ylphenoxy)-4-chlorophenyl]methanol?
The InChIKey is JMNJCAPJNCNSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClO2/c1-3-12(2)13-5-8-16(9-6-13)20-17-10-15(18)7-4-14(17)11-19/h4-10,12,19H,3,11H2,1-2H3.
What are the key properties of [2-(4-butan-2-ylphenoxy)-4-chlorophenyl]methanol?
[2-(4-butan-2-ylphenoxy)-4-chlorophenyl]methanol has a molecular weight of 290.79 g/mol, XLogP of 5.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-butan-2-ylphenoxy)-4-chlorophenyl]methanol is sourced from PubChem (CID 107665830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).