[5-methoxy-2-(2-methylcyclopenta-1,3-dien-1-yl)phenyl]-phenylmethanone

C20H18O2 — CID 23014757

IUPAC[5-methoxy-2-(2-methylcyclopenta-1,3-dien-1-yl)phenyl]-phenylmethanone
SMILESCOc1ccc(C2=C(C)C=CC2)c(C(=O)c2ccccc2)c1
InChIInChI=1S/C20H18O2/c1-14-7-6-10-17(14)18-12-11-16(22-2)13-19(18)20(21)15-8-4-3-5-9-15/h3-9,11-13H,10H2,1-2H3
InChIKeyUFCVHVKQJLQAAU-UHFFFAOYSA-N
MW290.36 g/mol
LogP4.66
Rot. Bonds4

About [5-methoxy-2-(2-methylcyclopenta-1,3-dien-1-yl)phenyl]-phenylmethanone

[5-methoxy-2-(2-methylcyclopenta-1,3-dien-1-yl)phenyl]-phenylmethanone (PubChem CID 23014757) has the molecular formula C20H18O2 and a molecular weight of 290.36 g/mol. Its IUPAC name is [5-methoxy-2-(2-methylcyclopenta-1,3-dien-1-yl)phenyl]-phenylmethanone.

Molecular Properties

Compound Name[5-methoxy-2-(2-methylcyclopenta-1,3-dien-1-yl)phenyl]-phenylmethanone
PubChem CID23014757
Molecular FormulaC20H18O2
Molecular Weight290.36 g/mol
Exact Mass290.13
IUPAC Name[5-methoxy-2-(2-methylcyclopenta-1,3-dien-1-yl)phenyl]-phenylmethanone
SMILESCOc1ccc(C2=C(C)C=CC2)c(C(=O)c2ccccc2)c1
InChIInChI=1S/C20H18O2/c1-14-7-6-10-17(14)18-12-11-16(22-2)13-19(18)20(21)15-8-4-3-5-9-15/h3-9,11-13H,10H2,1-2H3
InChIKeyUFCVHVKQJLQAAU-UHFFFAOYSA-N
XLogP4.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-methoxy-2-(2-methylcyclopenta-1,3-dien-1-yl)phenyl]-phenylmethanone?
The IUPAC name of [5-methoxy-2-(2-methylcyclopenta-1,3-dien-1-yl)phenyl]-phenylmethanone (CID 23014757) is [5-methoxy-2-(2-methylcyclopenta-1,3-dien-1-yl)phenyl]-phenylmethanone.
What is the SMILES notation for [5-methoxy-2-(2-methylcyclopenta-1,3-dien-1-yl)phenyl]-phenylmethanone?
The canonical SMILES for [5-methoxy-2-(2-methylcyclopenta-1,3-dien-1-yl)phenyl]-phenylmethanone is COc1ccc(C2=C(C)C=CC2)c(C(=O)c2ccccc2)c1.
What is the InChIKey of [5-methoxy-2-(2-methylcyclopenta-1,3-dien-1-yl)phenyl]-phenylmethanone?
The InChIKey is UFCVHVKQJLQAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O2/c1-14-7-6-10-17(14)18-12-11-16(22-2)13-19(18)20(21)15-8-4-3-5-9-15/h3-9,11-13H,10H2,1-2H3.
What are the key properties of [5-methoxy-2-(2-methylcyclopenta-1,3-dien-1-yl)phenyl]-phenylmethanone?
[5-methoxy-2-(2-methylcyclopenta-1,3-dien-1-yl)phenyl]-phenylmethanone has a molecular weight of 290.36 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methoxy-2-(2-methylcyclopenta-1,3-dien-1-yl)phenyl]-phenylmethanone is sourced from PubChem (CID 23014757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).