1,3-dimethoxy-2-(2-methylcyclopentyl)benzene

C14H20O2 — CID 118593665

IUPAC1,3-dimethoxy-2-(2-methylcyclopentyl)benzene
SMILESCOc1cccc(OC)c1C1CCCC1C
InChIInChI=1S/C14H20O2/c1-10-6-4-7-11(10)14-12(15-2)8-5-9-13(14)16-3/h5,8-11H,4,6-7H2,1-3H3
InChIKeySEQPBEYGJYQFHU-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.61
Rot. Bonds3

About 1,3-dimethoxy-2-(2-methylcyclopentyl)benzene

1,3-dimethoxy-2-(2-methylcyclopentyl)benzene (PubChem CID 118593665) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 1,3-dimethoxy-2-(2-methylcyclopentyl)benzene.

Molecular Properties

Compound Name1,3-dimethoxy-2-(2-methylcyclopentyl)benzene
PubChem CID118593665
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name1,3-dimethoxy-2-(2-methylcyclopentyl)benzene
SMILESCOc1cccc(OC)c1C1CCCC1C
InChIInChI=1S/C14H20O2/c1-10-6-4-7-11(10)14-12(15-2)8-5-9-13(14)16-3/h5,8-11H,4,6-7H2,1-3H3
InChIKeySEQPBEYGJYQFHU-UHFFFAOYSA-N
XLogP3.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,6-dimethoxyphenyl)-N-methylcycloheptan-1-amine
CID 116811017
N-[(2,6-dimethoxyphenyl)-(2-methylcyclopentyl)methyl]ethanamine
CID 107191388
2-cyclohex-2-en-1-yl-1,3-dimethoxybenzene
CID 11424515
2-(2,6-dimethoxyphenyl)-3-methylpyrrolidine
CID 3362544
2-methoxy-N-[(1S,2R)-2-methylcyclopentyl]aniline
CID 97030521
1-[2-(2,6-dimethoxyphenyl)cyclobutyl]-N-methylmethanamine
CID 116811386
ethane;5-methoxy-4-methyl-3,4-dihydro-2H-chromene
CID 156843779
1-[2-methoxy-3-[2-methoxy-3-(2-methylcycloheptyl)phenyl]phenyl]-2-methylcycloheptane
CID 163527973
1,7-dimethoxy-2,3-dihydro-1H-indene
CID 139893728
5-methoxy-2,3,4,4a,10,10a-hexahydro-1H-phenanthren-9-one
CID 66651992
2-(2-fluoro-3-methoxyphenyl)cyclopentan-1-ol
CID 82812195
bis(2-cyclopropyl-3-methoxyphenyl)methanone
CID 73011768

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethoxy-2-(2-methylcyclopentyl)benzene?
The IUPAC name of 1,3-dimethoxy-2-(2-methylcyclopentyl)benzene (CID 118593665) is 1,3-dimethoxy-2-(2-methylcyclopentyl)benzene.
What is the SMILES notation for 1,3-dimethoxy-2-(2-methylcyclopentyl)benzene?
The canonical SMILES for 1,3-dimethoxy-2-(2-methylcyclopentyl)benzene is COc1cccc(OC)c1C1CCCC1C.
What is the InChIKey of 1,3-dimethoxy-2-(2-methylcyclopentyl)benzene?
The InChIKey is SEQPBEYGJYQFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-10-6-4-7-11(10)14-12(15-2)8-5-9-13(14)16-3/h5,8-11H,4,6-7H2,1-3H3.
What are the key properties of 1,3-dimethoxy-2-(2-methylcyclopentyl)benzene?
1,3-dimethoxy-2-(2-methylcyclopentyl)benzene has a molecular weight of 220.31 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethoxy-2-(2-methylcyclopentyl)benzene is sourced from PubChem (CID 118593665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).