4-chloro-1-(cyclobutylmethoxy)-2-methylbenzene

C12H15ClO — CID 127017270

IUPAC4-chloro-1-(cyclobutylmethoxy)-2-methylbenzene
SMILESCc1cc(Cl)ccc1OCC1CCC1
InChIInChI=1S/C12H15ClO/c1-9-7-11(13)5-6-12(9)14-8-10-3-2-4-10/h5-7,10H,2-4,8H2,1H3
InChIKeyUZKMWEXDCVMZNG-UHFFFAOYSA-N
MW210.70 g/mol
LogP3.83
Rot. Bonds3

About 4-chloro-1-(cyclobutylmethoxy)-2-methylbenzene

4-chloro-1-(cyclobutylmethoxy)-2-methylbenzene (PubChem CID 127017270) has the molecular formula C12H15ClO and a molecular weight of 210.70 g/mol. Its IUPAC name is 4-chloro-1-(cyclobutylmethoxy)-2-methylbenzene.

Molecular Properties

Compound Name4-chloro-1-(cyclobutylmethoxy)-2-methylbenzene
PubChem CID127017270
Molecular FormulaC12H15ClO
Molecular Weight210.70 g/mol
Exact Mass210.08
IUPAC Name4-chloro-1-(cyclobutylmethoxy)-2-methylbenzene
SMILESCc1cc(Cl)ccc1OCC1CCC1
InChIInChI=1S/C12H15ClO/c1-9-7-11(13)5-6-12(9)14-8-10-3-2-4-10/h5-7,10H,2-4,8H2,1H3
InChIKeyUZKMWEXDCVMZNG-UHFFFAOYSA-N
XLogP3.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.70
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-1-(cyclobutylmethoxy)-2-fluorobenzene
CID 130161233
1-[5-chloro-2-(cyclobutylmethoxy)phenyl]propan-2-amine
CID 65459305
1-[5-chloro-2-(cyclobutylmethoxy)phenyl]propan-2-one
CID 117384831
4-(cyclobutylmethoxy)-3-methylbenzenesulfonamide
CID 65459454
[5-chloro-2-(cyclohexylmethoxy)phenyl]methanamine
CID 43141776
3-[5-chloro-2-(cyclobutylmethoxy)phenyl]propanal
CID 117384880
1-[5-chloro-2-(cyclobutylmethoxy)phenyl]cyclopentane-1-carboxylic acid
CID 117493677
1-(cyclohexylmethoxy)-4-ethynyl-2-methylbenzene
CID 138962091
4-(3-chloroprop-1-ynyl)-1-(cyclopentylmethoxy)-2-methylbenzene
CID 63419429
1-(cyclopentylmethoxy)-2-methylbenzene
CID 59117156
1-(cyclopropylmethoxy)-4-ethyl-2-methylbenzene
CID 155323138
2-[5-chloro-2-(cyclobutylmethoxy)phenyl]-2-methylpyrrolidine
CID 117449114

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(cyclobutylmethoxy)-2-methylbenzene?
The IUPAC name of 4-chloro-1-(cyclobutylmethoxy)-2-methylbenzene (CID 127017270) is 4-chloro-1-(cyclobutylmethoxy)-2-methylbenzene.
What is the SMILES notation for 4-chloro-1-(cyclobutylmethoxy)-2-methylbenzene?
The canonical SMILES for 4-chloro-1-(cyclobutylmethoxy)-2-methylbenzene is Cc1cc(Cl)ccc1OCC1CCC1.
What is the InChIKey of 4-chloro-1-(cyclobutylmethoxy)-2-methylbenzene?
The InChIKey is UZKMWEXDCVMZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO/c1-9-7-11(13)5-6-12(9)14-8-10-3-2-4-10/h5-7,10H,2-4,8H2,1H3.
What are the key properties of 4-chloro-1-(cyclobutylmethoxy)-2-methylbenzene?
4-chloro-1-(cyclobutylmethoxy)-2-methylbenzene has a molecular weight of 210.70 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(cyclobutylmethoxy)-2-methylbenzene is sourced from PubChem (CID 127017270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).