1-(cyclopentyloxymethyl)-2,3-dimethylbenzene

C14H20O — CID 126674892

IUPAC1-(cyclopentyloxymethyl)-2,3-dimethylbenzene
SMILESCc1cccc(COC2CCCC2)c1C
InChIInChI=1S/C14H20O/c1-11-6-5-7-13(12(11)2)10-15-14-8-3-4-9-14/h5-7,14H,3-4,8-10H2,1-2H3
InChIKeyNKHLBIBTTRVNSA-UHFFFAOYSA-N
MW204.31 g/mol
LogP3.76
Rot. Bonds3

About 1-(cyclopentyloxymethyl)-2,3-dimethylbenzene

1-(cyclopentyloxymethyl)-2,3-dimethylbenzene (PubChem CID 126674892) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 1-(cyclopentyloxymethyl)-2,3-dimethylbenzene.

Molecular Properties

Compound Name1-(cyclopentyloxymethyl)-2,3-dimethylbenzene
PubChem CID126674892
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name1-(cyclopentyloxymethyl)-2,3-dimethylbenzene
SMILESCc1cccc(COC2CCCC2)c1C
InChIInChI=1S/C14H20O/c1-11-6-5-7-13(12(11)2)10-15-14-8-3-4-9-14/h5-7,14H,3-4,8-10H2,1-2H3
InChIKeyNKHLBIBTTRVNSA-UHFFFAOYSA-N
XLogP3.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,3-dimethylphenyl)methyl]cyclopentanamine
CID 60657498
4-[(2-methylphenyl)methoxy]cyclohexan-1-amine
CID 62807392
8-(cyclopentyloxymethyl)quinoline
CID 126674909
1-(cyclopropylmethyl)-2,3-dimethylbenzene
CID 20690233
2-(cyclopentyloxymethyl)-1-methyl-3-nitrobenzene
CID 122651735
1,2-dimethyl-3-(2-methylpropoxymethyl)benzene
CID 122553324
2-[2-(cycloheptyloxymethyl)phenyl]ethanamine
CID 115464843
2-amino-6-(cyclopentyloxymethyl)benzonitrile
CID 82013530
2-(cyclopentyloxymethyl)benzoic acid
CID 43473147
2-(cycloheptyloxymethyl)benzonitrile
CID 61069550
N-[2-[2-(cyclopentyloxymethyl)phenyl]ethyl]-2-methylpropan-2-amine
CID 115464481
3-(cyclopentyloxymethyl)-2-fluorobenzenecarbothioamide
CID 107115985

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentyloxymethyl)-2,3-dimethylbenzene?
The IUPAC name of 1-(cyclopentyloxymethyl)-2,3-dimethylbenzene (CID 126674892) is 1-(cyclopentyloxymethyl)-2,3-dimethylbenzene.
What is the SMILES notation for 1-(cyclopentyloxymethyl)-2,3-dimethylbenzene?
The canonical SMILES for 1-(cyclopentyloxymethyl)-2,3-dimethylbenzene is Cc1cccc(COC2CCCC2)c1C.
What is the InChIKey of 1-(cyclopentyloxymethyl)-2,3-dimethylbenzene?
The InChIKey is NKHLBIBTTRVNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c1-11-6-5-7-13(12(11)2)10-15-14-8-3-4-9-14/h5-7,14H,3-4,8-10H2,1-2H3.
What are the key properties of 1-(cyclopentyloxymethyl)-2,3-dimethylbenzene?
1-(cyclopentyloxymethyl)-2,3-dimethylbenzene has a molecular weight of 204.31 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentyloxymethyl)-2,3-dimethylbenzene is sourced from PubChem (CID 126674892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).