1-(3-cyclopenta-1,4-dien-1-ylpentan-3-yl)-2-methoxy-3-phenylbenzene

C23H26O — CID 18347425

IUPAC1-(3-cyclopenta-1,4-dien-1-ylpentan-3-yl)-2-methoxy-3-phenylbenzene
SMILESCCC(CC)(C1=CCC=C1)c1cccc(-c2ccccc2)c1OC
InChIInChI=1S/C23H26O/c1-4-23(5-2,19-14-9-10-15-19)21-17-11-16-20(22(21)24-3)18-12-7-6-8-13-18/h6-9,11-17H,4-5,10H2,1-3H3
InChIKeyGMIGTGHDJHQQJO-UHFFFAOYSA-N
MW318.46 g/mol
LogP6.31
Rot. Bonds6

About 1-(3-cyclopenta-1,4-dien-1-ylpentan-3-yl)-2-methoxy-3-phenylbenzene

1-(3-cyclopenta-1,4-dien-1-ylpentan-3-yl)-2-methoxy-3-phenylbenzene (PubChem CID 18347425) has the molecular formula C23H26O and a molecular weight of 318.46 g/mol. Its IUPAC name is 1-(3-cyclopenta-1,4-dien-1-ylpentan-3-yl)-2-methoxy-3-phenylbenzene.

Molecular Properties

Compound Name1-(3-cyclopenta-1,4-dien-1-ylpentan-3-yl)-2-methoxy-3-phenylbenzene
PubChem CID18347425
Molecular FormulaC23H26O
Molecular Weight318.46 g/mol
Exact Mass318.20
IUPAC Name1-(3-cyclopenta-1,4-dien-1-ylpentan-3-yl)-2-methoxy-3-phenylbenzene
SMILESCCC(CC)(C1=CCC=C1)c1cccc(-c2ccccc2)c1OC
InChIInChI=1S/C23H26O/c1-4-23(5-2,19-14-9-10-15-19)21-17-11-16-20(22(21)24-3)18-12-7-6-8-13-18/h6-9,11-17H,4-5,10H2,1-3H3
InChIKeyGMIGTGHDJHQQJO-UHFFFAOYSA-N
XLogP6.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.46
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopenta-1,4-dien-1-ylpentan-3-yl)-2-methoxy-3-phenylbenzene?
The IUPAC name of 1-(3-cyclopenta-1,4-dien-1-ylpentan-3-yl)-2-methoxy-3-phenylbenzene (CID 18347425) is 1-(3-cyclopenta-1,4-dien-1-ylpentan-3-yl)-2-methoxy-3-phenylbenzene.
What is the SMILES notation for 1-(3-cyclopenta-1,4-dien-1-ylpentan-3-yl)-2-methoxy-3-phenylbenzene?
The canonical SMILES for 1-(3-cyclopenta-1,4-dien-1-ylpentan-3-yl)-2-methoxy-3-phenylbenzene is CCC(CC)(C1=CCC=C1)c1cccc(-c2ccccc2)c1OC.
What is the InChIKey of 1-(3-cyclopenta-1,4-dien-1-ylpentan-3-yl)-2-methoxy-3-phenylbenzene?
The InChIKey is GMIGTGHDJHQQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26O/c1-4-23(5-2,19-14-9-10-15-19)21-17-11-16-20(22(21)24-3)18-12-7-6-8-13-18/h6-9,11-17H,4-5,10H2,1-3H3.
What are the key properties of 1-(3-cyclopenta-1,4-dien-1-ylpentan-3-yl)-2-methoxy-3-phenylbenzene?
1-(3-cyclopenta-1,4-dien-1-ylpentan-3-yl)-2-methoxy-3-phenylbenzene has a molecular weight of 318.46 g/mol, XLogP of 6.31, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopenta-1,4-dien-1-ylpentan-3-yl)-2-methoxy-3-phenylbenzene is sourced from PubChem (CID 18347425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).