1-[5-benzyl-4-(4-methoxyphenyl)-5-methylcyclopenta-1,3-dien-1-yl]-4-methoxybenzene

C27H26O2 — CID 101114423

IUPAC1-[5-benzyl-4-(4-methoxyphenyl)-5-methylcyclopenta-1,3-dien-1-yl]-4-methoxybenzene
SMILESCOc1ccc(C2=CC=C(c3ccc(OC)cc3)C2(C)Cc2ccccc2)cc1
InChIInChI=1S/C27H26O2/c1-27(19-20-7-5-4-6-8-20)25(21-9-13-23(28-2)14-10-21)17-18-26(27)22-11-15-24(29-3)16-12-22/h4-18H,19H2,1-3H3
InChIKeyZTGQFCUPMZEBKZ-UHFFFAOYSA-N
MW382.50 g/mol
LogP6.43
Rot. Bonds6

About 1-[5-benzyl-4-(4-methoxyphenyl)-5-methylcyclopenta-1,3-dien-1-yl]-4-methoxybenzene

1-[5-benzyl-4-(4-methoxyphenyl)-5-methylcyclopenta-1,3-dien-1-yl]-4-methoxybenzene (PubChem CID 101114423) has the molecular formula C27H26O2 and a molecular weight of 382.50 g/mol. Its IUPAC name is 1-[5-benzyl-4-(4-methoxyphenyl)-5-methylcyclopenta-1,3-dien-1-yl]-4-methoxybenzene.

Molecular Properties

Compound Name1-[5-benzyl-4-(4-methoxyphenyl)-5-methylcyclopenta-1,3-dien-1-yl]-4-methoxybenzene
PubChem CID101114423
Molecular FormulaC27H26O2
Molecular Weight382.50 g/mol
Exact Mass382.19
IUPAC Name1-[5-benzyl-4-(4-methoxyphenyl)-5-methylcyclopenta-1,3-dien-1-yl]-4-methoxybenzene
SMILESCOc1ccc(C2=CC=C(c3ccc(OC)cc3)C2(C)Cc2ccccc2)cc1
InChIInChI=1S/C27H26O2/c1-27(19-20-7-5-4-6-8-20)25(21-9-13-23(28-2)14-10-21)17-18-26(27)22-11-15-24(29-3)16-12-22/h4-18H,19H2,1-3H3
InChIKeyZTGQFCUPMZEBKZ-UHFFFAOYSA-N
XLogP6.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.50
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[5-benzyl-4-(4-methoxyphenyl)-5-methylcyclopenta-1,3-dien-1-yl]-4-methoxybenzene?
The IUPAC name of 1-[5-benzyl-4-(4-methoxyphenyl)-5-methylcyclopenta-1,3-dien-1-yl]-4-methoxybenzene (CID 101114423) is 1-[5-benzyl-4-(4-methoxyphenyl)-5-methylcyclopenta-1,3-dien-1-yl]-4-methoxybenzene.
What is the SMILES notation for 1-[5-benzyl-4-(4-methoxyphenyl)-5-methylcyclopenta-1,3-dien-1-yl]-4-methoxybenzene?
The canonical SMILES for 1-[5-benzyl-4-(4-methoxyphenyl)-5-methylcyclopenta-1,3-dien-1-yl]-4-methoxybenzene is COc1ccc(C2=CC=C(c3ccc(OC)cc3)C2(C)Cc2ccccc2)cc1.
What is the InChIKey of 1-[5-benzyl-4-(4-methoxyphenyl)-5-methylcyclopenta-1,3-dien-1-yl]-4-methoxybenzene?
The InChIKey is ZTGQFCUPMZEBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26O2/c1-27(19-20-7-5-4-6-8-20)25(21-9-13-23(28-2)14-10-21)17-18-26(27)22-11-15-24(29-3)16-12-22/h4-18H,19H2,1-3H3.
What are the key properties of 1-[5-benzyl-4-(4-methoxyphenyl)-5-methylcyclopenta-1,3-dien-1-yl]-4-methoxybenzene?
1-[5-benzyl-4-(4-methoxyphenyl)-5-methylcyclopenta-1,3-dien-1-yl]-4-methoxybenzene has a molecular weight of 382.50 g/mol, XLogP of 6.43, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-benzyl-4-(4-methoxyphenyl)-5-methylcyclopenta-1,3-dien-1-yl]-4-methoxybenzene is sourced from PubChem (CID 101114423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).