1-(cyclopenta-1,4-dien-1-ylmethyl)-2-[(2-methylpropan-2-yl)oxy]benzene

C16H20O — CID 22555633

IUPAC1-(cyclopenta-1,4-dien-1-ylmethyl)-2-[(2-methylpropan-2-yl)oxy]benzene
SMILESCC(C)(C)Oc1ccccc1CC1=CCC=C1
InChIInChI=1S/C16H20O/c1-16(2,3)17-15-11-7-6-10-14(15)12-13-8-4-5-9-13/h4,6-11H,5,12H2,1-3H3
InChIKeyHXPJHUYTWPAAAH-UHFFFAOYSA-N
MW228.34 g/mol
LogP4.29
Rot. Bonds3

About 1-(cyclopenta-1,4-dien-1-ylmethyl)-2-[(2-methylpropan-2-yl)oxy]benzene

1-(cyclopenta-1,4-dien-1-ylmethyl)-2-[(2-methylpropan-2-yl)oxy]benzene (PubChem CID 22555633) has the molecular formula C16H20O and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-(cyclopenta-1,4-dien-1-ylmethyl)-2-[(2-methylpropan-2-yl)oxy]benzene.

Molecular Properties

Compound Name1-(cyclopenta-1,4-dien-1-ylmethyl)-2-[(2-methylpropan-2-yl)oxy]benzene
PubChem CID22555633
Molecular FormulaC16H20O
Molecular Weight228.34 g/mol
Exact Mass228.15
IUPAC Name1-(cyclopenta-1,4-dien-1-ylmethyl)-2-[(2-methylpropan-2-yl)oxy]benzene
SMILESCC(C)(C)Oc1ccccc1CC1=CCC=C1
InChIInChI=1S/C16H20O/c1-16(2,3)17-15-11-7-6-10-14(15)12-13-8-4-5-9-13/h4,6-11H,5,12H2,1-3H3
InChIKeyHXPJHUYTWPAAAH-UHFFFAOYSA-N
XLogP4.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopenta-1,4-dien-1-ylmethyl)-2-[(2-methylpropan-2-yl)oxy]benzene?
The IUPAC name of 1-(cyclopenta-1,4-dien-1-ylmethyl)-2-[(2-methylpropan-2-yl)oxy]benzene (CID 22555633) is 1-(cyclopenta-1,4-dien-1-ylmethyl)-2-[(2-methylpropan-2-yl)oxy]benzene.
What is the SMILES notation for 1-(cyclopenta-1,4-dien-1-ylmethyl)-2-[(2-methylpropan-2-yl)oxy]benzene?
The canonical SMILES for 1-(cyclopenta-1,4-dien-1-ylmethyl)-2-[(2-methylpropan-2-yl)oxy]benzene is CC(C)(C)Oc1ccccc1CC1=CCC=C1.
What is the InChIKey of 1-(cyclopenta-1,4-dien-1-ylmethyl)-2-[(2-methylpropan-2-yl)oxy]benzene?
The InChIKey is HXPJHUYTWPAAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O/c1-16(2,3)17-15-11-7-6-10-14(15)12-13-8-4-5-9-13/h4,6-11H,5,12H2,1-3H3.
What are the key properties of 1-(cyclopenta-1,4-dien-1-ylmethyl)-2-[(2-methylpropan-2-yl)oxy]benzene?
1-(cyclopenta-1,4-dien-1-ylmethyl)-2-[(2-methylpropan-2-yl)oxy]benzene has a molecular weight of 228.34 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopenta-1,4-dien-1-ylmethyl)-2-[(2-methylpropan-2-yl)oxy]benzene is sourced from PubChem (CID 22555633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).