1-(1-cyclopenta-1,4-dien-1-ylethyl)-2-methoxybenzene

C14H16O — CID 22555570

IUPAC1-(1-cyclopenta-1,4-dien-1-ylethyl)-2-methoxybenzene
SMILESCOc1ccccc1C(C)C1=CCC=C1
InChIInChI=1S/C14H16O/c1-11(12-7-3-4-8-12)13-9-5-6-10-14(13)15-2/h3,5-11H,4H2,1-2H3
InChIKeyVCFTXJVOIJTRCM-UHFFFAOYSA-N
MW200.28 g/mol
LogP3.68
Rot. Bonds3

About 1-(1-cyclopenta-1,4-dien-1-ylethyl)-2-methoxybenzene

1-(1-cyclopenta-1,4-dien-1-ylethyl)-2-methoxybenzene (PubChem CID 22555570) has the molecular formula C14H16O and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-(1-cyclopenta-1,4-dien-1-ylethyl)-2-methoxybenzene.

Molecular Properties

Compound Name1-(1-cyclopenta-1,4-dien-1-ylethyl)-2-methoxybenzene
PubChem CID22555570
Molecular FormulaC14H16O
Molecular Weight200.28 g/mol
Exact Mass200.12
IUPAC Name1-(1-cyclopenta-1,4-dien-1-ylethyl)-2-methoxybenzene
SMILESCOc1ccccc1C(C)C1=CCC=C1
InChIInChI=1S/C14H16O/c1-11(12-7-3-4-8-12)13-9-5-6-10-14(13)15-2/h3,5-11H,4H2,1-2H3
InChIKeyVCFTXJVOIJTRCM-UHFFFAOYSA-N
XLogP3.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1-cyclopenta-1,4-dien-1-ylpropyl)-2-methoxybenzene
CID 22555819
1-(1-cyclopenta-1,4-dien-1-ylbut-3-enyl)-2-methoxybenzene
CID 102102703
[(1S)-1-(2-methoxyphenyl)ethyl]phosphane
CID 130462203
(1R)-1-(2-methoxyphenyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]ethanamine
CID 11346678
ethane;1-methoxy-2-propan-2-ylbenzene
CID 144548142
ethane;1-methoxy-2-propan-2-ylbenzene
CID 142030907
(1S)-1-(2-methoxyphenyl)ethanethiol
CID 28974918
hafnium;2-propan-2-ylcyclopenta-1,3-diene
CID 175311105
N-[(1S)-1-(2-methoxyphenyl)ethyl]-3,5-dimethylcyclohexan-1-amine
CID 81397729
N-[(1R)-1-(2-methoxyphenyl)ethyl]-3,5-dimethylcyclohexan-1-amine
CID 81396947
bis(cyclopenta-1,3-diene);1,2-dimethoxybenzene
CID 170157168
1-[2-[1-(2-methoxyphenyl)ethyl]phenyl]ethanone
CID 135058931

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopenta-1,4-dien-1-ylethyl)-2-methoxybenzene?
The IUPAC name of 1-(1-cyclopenta-1,4-dien-1-ylethyl)-2-methoxybenzene (CID 22555570) is 1-(1-cyclopenta-1,4-dien-1-ylethyl)-2-methoxybenzene.
What is the SMILES notation for 1-(1-cyclopenta-1,4-dien-1-ylethyl)-2-methoxybenzene?
The canonical SMILES for 1-(1-cyclopenta-1,4-dien-1-ylethyl)-2-methoxybenzene is COc1ccccc1C(C)C1=CCC=C1.
What is the InChIKey of 1-(1-cyclopenta-1,4-dien-1-ylethyl)-2-methoxybenzene?
The InChIKey is VCFTXJVOIJTRCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O/c1-11(12-7-3-4-8-12)13-9-5-6-10-14(13)15-2/h3,5-11H,4H2,1-2H3.
What are the key properties of 1-(1-cyclopenta-1,4-dien-1-ylethyl)-2-methoxybenzene?
1-(1-cyclopenta-1,4-dien-1-ylethyl)-2-methoxybenzene has a molecular weight of 200.28 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopenta-1,4-dien-1-ylethyl)-2-methoxybenzene is sourced from PubChem (CID 22555570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).