1-(cyclopent-3-en-1-ylmethoxymethyl)-3-methoxybenzene

C14H18O2 — CID 141398507

IUPAC1-(cyclopent-3-en-1-ylmethoxymethyl)-3-methoxybenzene
SMILESCOc1cccc(COCC2CC=CC2)c1
InChIInChI=1S/C14H18O2/c1-15-14-8-4-7-13(9-14)11-16-10-12-5-2-3-6-12/h2-4,7-9,12H,5-6,10-11H2,1H3
InChIKeyQRUWHCALKIRVDX-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.18
Rot. Bonds5

About 1-(cyclopent-3-en-1-ylmethoxymethyl)-3-methoxybenzene

1-(cyclopent-3-en-1-ylmethoxymethyl)-3-methoxybenzene (PubChem CID 141398507) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-(cyclopent-3-en-1-ylmethoxymethyl)-3-methoxybenzene.

Molecular Properties

Compound Name1-(cyclopent-3-en-1-ylmethoxymethyl)-3-methoxybenzene
PubChem CID141398507
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name1-(cyclopent-3-en-1-ylmethoxymethyl)-3-methoxybenzene
SMILESCOc1cccc(COCC2CC=CC2)c1
InChIInChI=1S/C14H18O2/c1-15-14-8-4-7-13(9-14)11-16-10-12-5-2-3-6-12/h2-4,7-9,12H,5-6,10-11H2,1H3
InChIKeyQRUWHCALKIRVDX-UHFFFAOYSA-N
XLogP3.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[(3-methoxyphenyl)methoxymethyl]-2,3-dihydro-1-benzothiophene
CID 79403687
1-[[1-(bromomethyl)-4-ethylcyclohexyl]oxymethyl]-3-methoxybenzene
CID 63468796
1-(2,2-difluoroethoxymethyl)-3-methoxybenzene
CID 88878889
1-methoxy-3-(2,2,2-trifluoroethoxymethyl)benzene
CID 70661162
2-[(3-methoxyphenyl)methoxy]ethanamine;hydrochloride
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CID 63907495
6-[(3-methoxyphenyl)methoxymethyl]-2,2-dimethylmorpholine
CID 114775645
1-methoxy-3-propylbenzene
CID 14270128
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N-[2-(3-methoxyphenyl)ethyl]-N'-methyl-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide
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N-ethyl-5-[(3-methoxyphenyl)methoxymethyl]pyridin-2-amine
CID 62195783
N-[2-[(3-methoxyphenyl)methoxy]ethyl]cyclohexanamine
CID 62565943

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopent-3-en-1-ylmethoxymethyl)-3-methoxybenzene?
The IUPAC name of 1-(cyclopent-3-en-1-ylmethoxymethyl)-3-methoxybenzene (CID 141398507) is 1-(cyclopent-3-en-1-ylmethoxymethyl)-3-methoxybenzene.
What is the SMILES notation for 1-(cyclopent-3-en-1-ylmethoxymethyl)-3-methoxybenzene?
The canonical SMILES for 1-(cyclopent-3-en-1-ylmethoxymethyl)-3-methoxybenzene is COc1cccc(COCC2CC=CC2)c1.
What is the InChIKey of 1-(cyclopent-3-en-1-ylmethoxymethyl)-3-methoxybenzene?
The InChIKey is QRUWHCALKIRVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-15-14-8-4-7-13(9-14)11-16-10-12-5-2-3-6-12/h2-4,7-9,12H,5-6,10-11H2,1H3.
What are the key properties of 1-(cyclopent-3-en-1-ylmethoxymethyl)-3-methoxybenzene?
1-(cyclopent-3-en-1-ylmethoxymethyl)-3-methoxybenzene has a molecular weight of 218.30 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopent-3-en-1-ylmethoxymethyl)-3-methoxybenzene is sourced from PubChem (CID 141398507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).