2-cyclopentyloxy-1-methoxy-4-[(E)-2-nitrosoethenyl]benzene

C14H17NO3 — CID 89146119

IUPAC2-cyclopentyloxy-1-methoxy-4-[(E)-2-nitrosoethenyl]benzene
SMILESCOc1ccc(/C=C/N=O)cc1OC1CCCC1
InChIInChI=1S/C14H17NO3/c1-17-13-7-6-11(8-9-15-16)10-14(13)18-12-4-2-3-5-12/h6-10,12H,2-5H2,1H3/b9-8+
InChIKeyJLWICMZMIBGKAR-CMDGGOBGSA-N
MW247.29 g/mol
LogP3.75
Rot. Bonds5

About 2-cyclopentyloxy-1-methoxy-4-[(E)-2-nitrosoethenyl]benzene

2-cyclopentyloxy-1-methoxy-4-[(E)-2-nitrosoethenyl]benzene (PubChem CID 89146119) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 2-cyclopentyloxy-1-methoxy-4-[(E)-2-nitrosoethenyl]benzene.

Molecular Properties

Compound Name2-cyclopentyloxy-1-methoxy-4-[(E)-2-nitrosoethenyl]benzene
PubChem CID89146119
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name2-cyclopentyloxy-1-methoxy-4-[(E)-2-nitrosoethenyl]benzene
SMILESCOc1ccc(/C=C/N=O)cc1OC1CCCC1
InChIInChI=1S/C14H17NO3/c1-17-13-7-6-11(8-9-15-16)10-14(13)18-12-4-2-3-5-12/h6-10,12H,2-5H2,1H3/b9-8+
InChIKeyJLWICMZMIBGKAR-CMDGGOBGSA-N
XLogP3.75
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(NZ)-N-[(E)-3-(3-cyclopentyloxy-4-methoxyphenyl)prop-2-enylidene]hydroxylamine
CID 10106724
(E)-3-(4-cyclopentyloxy-3-methoxyphenyl)prop-2-enoic acid
CID 43147789
(E)-3-(4-cyclobutyloxy-3-methoxyphenyl)prop-2-enoic acid
CID 138464982
1-(3-cyclopentyloxy-4-methoxyphenyl)-N-piperidin-1-ylmethanimine
CID 54551418
2-[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]oxyacetic acid
CID 44541745
2-[(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]ethanethioamide
CID 58241283
2-cyclopentyloxy-4-iodo-1-methoxybenzene
CID 11197924
2-cyclopentyloxy-1-methoxy-4-methylbenzene;ethane
CID 142884364
bromocyclopentane;3-cyclopentyloxy-4-methoxybenzaldehyde;3-hydroxy-4-methoxybenzaldehyde;hydroiodide
CID 158018950
1-[2-(3-cyclopropyloxy-4-methoxyphenyl)ethenyl]-2,6-dimethylpyridin-4-one
CID 155339298
(3-cyclopentyloxy-4-methoxyphenyl)methylidenehydrazine;trimethyl(2-oxoethenyl)azanium;chloride
CID 173248162
1-[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]piperidine-4-carboxylic acid
CID 110173499

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyloxy-1-methoxy-4-[(E)-2-nitrosoethenyl]benzene?
The IUPAC name of 2-cyclopentyloxy-1-methoxy-4-[(E)-2-nitrosoethenyl]benzene (CID 89146119) is 2-cyclopentyloxy-1-methoxy-4-[(E)-2-nitrosoethenyl]benzene.
What is the SMILES notation for 2-cyclopentyloxy-1-methoxy-4-[(E)-2-nitrosoethenyl]benzene?
The canonical SMILES for 2-cyclopentyloxy-1-methoxy-4-[(E)-2-nitrosoethenyl]benzene is COc1ccc(/C=C/N=O)cc1OC1CCCC1.
What is the InChIKey of 2-cyclopentyloxy-1-methoxy-4-[(E)-2-nitrosoethenyl]benzene?
The InChIKey is JLWICMZMIBGKAR-CMDGGOBGSA-N. The full InChI is InChI=1S/C14H17NO3/c1-17-13-7-6-11(8-9-15-16)10-14(13)18-12-4-2-3-5-12/h6-10,12H,2-5H2,1H3/b9-8+.
What are the key properties of 2-cyclopentyloxy-1-methoxy-4-[(E)-2-nitrosoethenyl]benzene?
2-cyclopentyloxy-1-methoxy-4-[(E)-2-nitrosoethenyl]benzene has a molecular weight of 247.29 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyloxy-1-methoxy-4-[(E)-2-nitrosoethenyl]benzene is sourced from PubChem (CID 89146119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).