3-(2,3-dichlorophenoxy)-2,2-dimethylcyclobutan-1-ol

C12H14Cl2O2 — CID 66367122

IUPAC3-(2,3-dichlorophenoxy)-2,2-dimethylcyclobutan-1-ol
SMILESCC1(C)C(O)CC1Oc1cccc(Cl)c1Cl
InChIInChI=1S/C12H14Cl2O2/c1-12(2)9(15)6-10(12)16-8-5-3-4-7(13)11(8)14/h3-5,9-10,15H,6H2,1-2H3
InChIKeyZRPNNAYVSBLKPV-UHFFFAOYSA-N
MW261.15 g/mol
LogP3.53
Rot. Bonds2

About 3-(2,3-dichlorophenoxy)-2,2-dimethylcyclobutan-1-ol

3-(2,3-dichlorophenoxy)-2,2-dimethylcyclobutan-1-ol (PubChem CID 66367122) has the molecular formula C12H14Cl2O2 and a molecular weight of 261.15 g/mol. Its IUPAC name is 3-(2,3-dichlorophenoxy)-2,2-dimethylcyclobutan-1-ol.

Molecular Properties

Compound Name3-(2,3-dichlorophenoxy)-2,2-dimethylcyclobutan-1-ol
PubChem CID66367122
Molecular FormulaC12H14Cl2O2
Molecular Weight261.15 g/mol
Exact Mass260.04
IUPAC Name3-(2,3-dichlorophenoxy)-2,2-dimethylcyclobutan-1-ol
SMILESCC1(C)C(O)CC1Oc1cccc(Cl)c1Cl
InChIInChI=1S/C12H14Cl2O2/c1-12(2)9(15)6-10(12)16-8-5-3-4-7(13)11(8)14/h3-5,9-10,15H,6H2,1-2H3
InChIKeyZRPNNAYVSBLKPV-UHFFFAOYSA-N
XLogP3.53
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.15
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-3-quinolin-8-yloxycyclobutan-1-ol
CID 66367737
3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-2,2-dimethylcyclobutan-1-ol
CID 66367076
3-(2,3-dichlorophenoxy)-2,2-diethyl-N-methylcyclobutan-1-amine
CID 66356998
1,2-dichloro-3-(3-chlorocyclobutyl)oxybenzene
CID 66344254
2-(2,3-dichlorophenoxy)cyclopentan-1-ol
CID 60878793
3-(3-fluorophenoxy)-2,2-dimethylcyclobutan-1-ol
CID 66368118
3-(2-methoxy-4-methylphenoxy)-2,2-dimethylcyclobutan-1-ol
CID 66366678
1,2-dichloro-3-cyclobutyloxybenzene
CID 130038402
3-(2,6-dichlorophenoxy)-2-ethyl-2-methylcyclobutan-1-ol
CID 66343530
2,2-dimethyl-3-(4-propan-2-ylphenoxy)cyclobutan-1-ol
CID 66368922
3-(2-fluoro-6-nitrophenoxy)-2,2-dimethylcyclobutan-1-ol
CID 104832503
1-(2,3-dichlorophenyl)-2,2-dimethylpyrrolidin-3-ol
CID 117016879

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dichlorophenoxy)-2,2-dimethylcyclobutan-1-ol?
The IUPAC name of 3-(2,3-dichlorophenoxy)-2,2-dimethylcyclobutan-1-ol (CID 66367122) is 3-(2,3-dichlorophenoxy)-2,2-dimethylcyclobutan-1-ol.
What is the SMILES notation for 3-(2,3-dichlorophenoxy)-2,2-dimethylcyclobutan-1-ol?
The canonical SMILES for 3-(2,3-dichlorophenoxy)-2,2-dimethylcyclobutan-1-ol is CC1(C)C(O)CC1Oc1cccc(Cl)c1Cl.
What is the InChIKey of 3-(2,3-dichlorophenoxy)-2,2-dimethylcyclobutan-1-ol?
The InChIKey is ZRPNNAYVSBLKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2O2/c1-12(2)9(15)6-10(12)16-8-5-3-4-7(13)11(8)14/h3-5,9-10,15H,6H2,1-2H3.
What are the key properties of 3-(2,3-dichlorophenoxy)-2,2-dimethylcyclobutan-1-ol?
3-(2,3-dichlorophenoxy)-2,2-dimethylcyclobutan-1-ol has a molecular weight of 261.15 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dichlorophenoxy)-2,2-dimethylcyclobutan-1-ol is sourced from PubChem (CID 66367122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).