1-cyclopenta-2,4-dien-1-yl-3-methoxybenzene

C12H12O — CID 101067794

IUPAC1-cyclopenta-2,4-dien-1-yl-3-methoxybenzene
SMILESCOc1cccc(C2C=CC=C2)c1
InChIInChI=1S/C12H12O/c1-13-12-8-4-7-11(9-12)10-5-2-3-6-10/h2-10H,1H3
InChIKeyJAJQBQVOCSIDCU-UHFFFAOYSA-N
MW172.23 g/mol
LogP2.90
Rot. Bonds2

About 1-cyclopenta-2,4-dien-1-yl-3-methoxybenzene

1-cyclopenta-2,4-dien-1-yl-3-methoxybenzene (PubChem CID 101067794) has the molecular formula C12H12O and a molecular weight of 172.23 g/mol. Its IUPAC name is 1-cyclopenta-2,4-dien-1-yl-3-methoxybenzene.

Molecular Properties

Compound Name1-cyclopenta-2,4-dien-1-yl-3-methoxybenzene
PubChem CID101067794
Molecular FormulaC12H12O
Molecular Weight172.23 g/mol
Exact Mass172.09
IUPAC Name1-cyclopenta-2,4-dien-1-yl-3-methoxybenzene
SMILESCOc1cccc(C2C=CC=C2)c1
InChIInChI=1S/C12H12O/c1-13-12-8-4-7-11(9-12)10-5-2-3-6-10/h2-10H,1H3
InChIKeyJAJQBQVOCSIDCU-UHFFFAOYSA-N
XLogP2.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclopropyl-3-methoxybenzene;methane
CID 169265234
carbanide;1-cyclopropyl-3-methoxybenzene;tungsten
CID 169265135
(2R)-2-(3-methoxyphenyl)oxirane
CID 22882163
1-cyclopropyl-3-methoxybenzene;methanol
CID 70274289
tris(1,3-dimethoxybenzene);phosphane
CID 160853878
azane;1,3-dimethoxybenzene
CID 70210283
CID 172849383
CID 172849383
2-(3-methoxyphenyl)-1,3-dioxolane
CID 11062994
3-(3-methoxyphenyl)oxetane
CID 130113867
2-(3-methoxyphenyl)-1-methyl-2,5-dihydropyrrole
CID 70452828
(1S,4R)-4-(3-methoxyphenyl)cyclopent-2-en-1-ol
CID 177386861
3-(3-methoxyphenyl)-2,3-dihydro-1,2-thiazole
CID 162757963

Frequently Asked Questions

What is the IUPAC name of 1-cyclopenta-2,4-dien-1-yl-3-methoxybenzene?
The IUPAC name of 1-cyclopenta-2,4-dien-1-yl-3-methoxybenzene (CID 101067794) is 1-cyclopenta-2,4-dien-1-yl-3-methoxybenzene.
What is the SMILES notation for 1-cyclopenta-2,4-dien-1-yl-3-methoxybenzene?
The canonical SMILES for 1-cyclopenta-2,4-dien-1-yl-3-methoxybenzene is COc1cccc(C2C=CC=C2)c1.
What is the InChIKey of 1-cyclopenta-2,4-dien-1-yl-3-methoxybenzene?
The InChIKey is JAJQBQVOCSIDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O/c1-13-12-8-4-7-11(9-12)10-5-2-3-6-10/h2-10H,1H3.
What are the key properties of 1-cyclopenta-2,4-dien-1-yl-3-methoxybenzene?
1-cyclopenta-2,4-dien-1-yl-3-methoxybenzene has a molecular weight of 172.23 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopenta-2,4-dien-1-yl-3-methoxybenzene is sourced from PubChem (CID 101067794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).