1-[(1R)-cyclopent-2-en-1-yl]-2-methoxybenzene

C12H14O — CID 2327236

IUPAC1-[(1R)-cyclopent-2-en-1-yl]-2-methoxybenzene
SMILESCOc1ccccc1[C@H]1C=CCC1
InChIInChI=1S/C12H14O/c1-13-12-9-5-4-8-11(12)10-6-2-3-7-10/h2,4-6,8-10H,3,7H2,1H3/t10-/m0/s1
InChIKeyIIIJTTHOMBXFKA-JTQLQIEISA-N
MW174.24 g/mol
LogP3.13
Rot. Bonds2

About 1-[(1R)-cyclopent-2-en-1-yl]-2-methoxybenzene

1-[(1R)-cyclopent-2-en-1-yl]-2-methoxybenzene (PubChem CID 2327236) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is 1-[(1R)-cyclopent-2-en-1-yl]-2-methoxybenzene.

Molecular Properties

Compound Name1-[(1R)-cyclopent-2-en-1-yl]-2-methoxybenzene
PubChem CID2327236
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Name1-[(1R)-cyclopent-2-en-1-yl]-2-methoxybenzene
SMILESCOc1ccccc1[C@H]1C=CCC1
InChIInChI=1S/C12H14O/c1-13-12-9-5-4-8-11(12)10-6-2-3-7-10/h2,4-6,8-10H,3,7H2,1H3/t10-/m0/s1
InChIKeyIIIJTTHOMBXFKA-JTQLQIEISA-N
XLogP3.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1Z)-3-(2-methoxyphenyl)cyclooctene
CID 144754683
1-cyclopent-2-en-1-yl-2-methylbenzene
CID 12699492
1-cyclopropyl-2-methoxybenzene;ethane
CID 144769798
2-cyclohex-2-en-1-yl-1,3-dimethoxybenzene
CID 11424515
4-(2-methoxyphenyl)oxane
CID 121009799
4-(2-methoxyphenyl)piperidine
CID 544738
1-methoxy-2-(3-methoxycyclohexyl)benzene
CID 20692480
1-methoxy-2-[(1S)-3-methoxycyclohexyl]benzene
CID 54032409
N-(2-cyclopent-2-en-1-ylphenyl)acetamide
CID 14381648
(2R)-2-(2-methoxyphenyl)azetidine
CID 92670019
2,5-bis(2-methoxyphenyl)-1-methylphospholane
CID 90111468
3-(2-methoxyphenyl)cyclopentan-1-ol
CID 64516267

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-cyclopent-2-en-1-yl]-2-methoxybenzene?
The IUPAC name of 1-[(1R)-cyclopent-2-en-1-yl]-2-methoxybenzene (CID 2327236) is 1-[(1R)-cyclopent-2-en-1-yl]-2-methoxybenzene.
What is the SMILES notation for 1-[(1R)-cyclopent-2-en-1-yl]-2-methoxybenzene?
The canonical SMILES for 1-[(1R)-cyclopent-2-en-1-yl]-2-methoxybenzene is COc1ccccc1[C@H]1C=CCC1.
What is the InChIKey of 1-[(1R)-cyclopent-2-en-1-yl]-2-methoxybenzene?
The InChIKey is IIIJTTHOMBXFKA-JTQLQIEISA-N. The full InChI is InChI=1S/C12H14O/c1-13-12-9-5-4-8-11(12)10-6-2-3-7-10/h2,4-6,8-10H,3,7H2,1H3/t10-/m0/s1.
What are the key properties of 1-[(1R)-cyclopent-2-en-1-yl]-2-methoxybenzene?
1-[(1R)-cyclopent-2-en-1-yl]-2-methoxybenzene has a molecular weight of 174.24 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-cyclopent-2-en-1-yl]-2-methoxybenzene is sourced from PubChem (CID 2327236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).