3-(4-chloro-3-methylphenoxy)-2-propoxycyclobutan-1-ol

C14H19ClO3 — CID 107942506

IUPAC3-(4-chloro-3-methylphenoxy)-2-propoxycyclobutan-1-ol
SMILESCCCOC1C(O)CC1Oc1ccc(Cl)c(C)c1
InChIInChI=1S/C14H19ClO3/c1-3-6-17-14-12(16)8-13(14)18-10-4-5-11(15)9(2)7-10/h4-5,7,12-14,16H,3,6,8H2,1-2H3
InChIKeyKRXVHPYMTGRSLI-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.96
Rot. Bonds5

About 3-(4-chloro-3-methylphenoxy)-2-propoxycyclobutan-1-ol

3-(4-chloro-3-methylphenoxy)-2-propoxycyclobutan-1-ol (PubChem CID 107942506) has the molecular formula C14H19ClO3 and a molecular weight of 270.76 g/mol. Its IUPAC name is 3-(4-chloro-3-methylphenoxy)-2-propoxycyclobutan-1-ol.

Molecular Properties

Compound Name3-(4-chloro-3-methylphenoxy)-2-propoxycyclobutan-1-ol
PubChem CID107942506
Molecular FormulaC14H19ClO3
Molecular Weight270.76 g/mol
Exact Mass270.10
IUPAC Name3-(4-chloro-3-methylphenoxy)-2-propoxycyclobutan-1-ol
SMILESCCCOC1C(O)CC1Oc1ccc(Cl)c(C)c1
InChIInChI=1S/C14H19ClO3/c1-3-6-17-14-12(16)8-13(14)18-10-4-5-11(15)9(2)7-10/h4-5,7,12-14,16H,3,6,8H2,1-2H3
InChIKeyKRXVHPYMTGRSLI-UHFFFAOYSA-N
XLogP2.96
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chloro-3-methylphenoxy)-2-ethoxycyclobutan-1-ol
CID 113439889
3-(3,5-dichlorophenoxy)-2-propoxycyclobutan-1-ol
CID 107942554
3-(4-bromophenoxy)-2-propoxycyclobutan-1-ol
CID 114018846
3-(3,5-difluorophenoxy)-2-propoxycyclobutan-1-ol
CID 107942588
2-propoxy-3-(2,4,6-trichlorophenoxy)cyclobutan-1-ol
CID 107942525
3-(4-chloro-3-methylphenoxy)-2-methoxycyclobutan-1-amine
CID 104674523
3-(3,4-dimethylphenoxy)-2-propoxycyclobutan-1-amine
CID 107943230
3-(3-chloro-4-fluorophenoxy)-2-propoxycyclobutan-1-amine
CID 107943680
[2-(4-chloro-3-methylphenoxy)-4-propylcyclohexyl]methanamine
CID 43530896
2-(4-chloro-3-methylphenoxy)-4-ethyl-N-methylcyclohexan-1-amine
CID 63500371
N-methyl-3-(3-methyl-4-propan-2-ylphenoxy)-2-propoxycyclobutan-1-amine
CID 107943205
3-(2-chloro-6-nitrophenoxy)-2-propoxycyclobutan-1-ol
CID 107942675

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3-methylphenoxy)-2-propoxycyclobutan-1-ol?
The IUPAC name of 3-(4-chloro-3-methylphenoxy)-2-propoxycyclobutan-1-ol (CID 107942506) is 3-(4-chloro-3-methylphenoxy)-2-propoxycyclobutan-1-ol.
What is the SMILES notation for 3-(4-chloro-3-methylphenoxy)-2-propoxycyclobutan-1-ol?
The canonical SMILES for 3-(4-chloro-3-methylphenoxy)-2-propoxycyclobutan-1-ol is CCCOC1C(O)CC1Oc1ccc(Cl)c(C)c1.
What is the InChIKey of 3-(4-chloro-3-methylphenoxy)-2-propoxycyclobutan-1-ol?
The InChIKey is KRXVHPYMTGRSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClO3/c1-3-6-17-14-12(16)8-13(14)18-10-4-5-11(15)9(2)7-10/h4-5,7,12-14,16H,3,6,8H2,1-2H3.
What are the key properties of 3-(4-chloro-3-methylphenoxy)-2-propoxycyclobutan-1-ol?
3-(4-chloro-3-methylphenoxy)-2-propoxycyclobutan-1-ol has a molecular weight of 270.76 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3-methylphenoxy)-2-propoxycyclobutan-1-ol is sourced from PubChem (CID 107942506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).