1-methoxy-3-methyl-5-[2-(3-methylcyclopenta-2,4-dien-1-yl)propan-2-yl]benzene

C17H22O — CID 141194563

IUPAC1-methoxy-3-methyl-5-[2-(3-methylcyclopenta-2,4-dien-1-yl)propan-2-yl]benzene
SMILESCOc1cc(C)cc(C(C)(C)C2C=CC(C)=C2)c1
InChIInChI=1S/C17H22O/c1-12-6-7-14(8-12)17(3,4)15-9-13(2)10-16(11-15)18-5/h6-11,14H,1-5H3
InChIKeyRQLYYKCNGRYJQX-UHFFFAOYSA-N
MW242.36 g/mol
LogP4.41
Rot. Bonds3

About 1-methoxy-3-methyl-5-[2-(3-methylcyclopenta-2,4-dien-1-yl)propan-2-yl]benzene

1-methoxy-3-methyl-5-[2-(3-methylcyclopenta-2,4-dien-1-yl)propan-2-yl]benzene (PubChem CID 141194563) has the molecular formula C17H22O and a molecular weight of 242.36 g/mol. Its IUPAC name is 1-methoxy-3-methyl-5-[2-(3-methylcyclopenta-2,4-dien-1-yl)propan-2-yl]benzene.

Molecular Properties

Compound Name1-methoxy-3-methyl-5-[2-(3-methylcyclopenta-2,4-dien-1-yl)propan-2-yl]benzene
PubChem CID141194563
Molecular FormulaC17H22O
Molecular Weight242.36 g/mol
Exact Mass242.17
IUPAC Name1-methoxy-3-methyl-5-[2-(3-methylcyclopenta-2,4-dien-1-yl)propan-2-yl]benzene
SMILESCOc1cc(C)cc(C(C)(C)C2C=CC(C)=C2)c1
InChIInChI=1S/C17H22O/c1-12-6-7-14(8-12)17(3,4)15-9-13(2)10-16(11-15)18-5/h6-11,14H,1-5H3
InChIKeyRQLYYKCNGRYJQX-UHFFFAOYSA-N
XLogP4.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-methyl-5-[2-(3-methylcyclopenta-2,4-dien-1-yl)propan-2-yl]benzene?
The IUPAC name of 1-methoxy-3-methyl-5-[2-(3-methylcyclopenta-2,4-dien-1-yl)propan-2-yl]benzene (CID 141194563) is 1-methoxy-3-methyl-5-[2-(3-methylcyclopenta-2,4-dien-1-yl)propan-2-yl]benzene.
What is the SMILES notation for 1-methoxy-3-methyl-5-[2-(3-methylcyclopenta-2,4-dien-1-yl)propan-2-yl]benzene?
The canonical SMILES for 1-methoxy-3-methyl-5-[2-(3-methylcyclopenta-2,4-dien-1-yl)propan-2-yl]benzene is COc1cc(C)cc(C(C)(C)C2C=CC(C)=C2)c1.
What is the InChIKey of 1-methoxy-3-methyl-5-[2-(3-methylcyclopenta-2,4-dien-1-yl)propan-2-yl]benzene?
The InChIKey is RQLYYKCNGRYJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O/c1-12-6-7-14(8-12)17(3,4)15-9-13(2)10-16(11-15)18-5/h6-11,14H,1-5H3.
What are the key properties of 1-methoxy-3-methyl-5-[2-(3-methylcyclopenta-2,4-dien-1-yl)propan-2-yl]benzene?
1-methoxy-3-methyl-5-[2-(3-methylcyclopenta-2,4-dien-1-yl)propan-2-yl]benzene has a molecular weight of 242.36 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-methyl-5-[2-(3-methylcyclopenta-2,4-dien-1-yl)propan-2-yl]benzene is sourced from PubChem (CID 141194563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).