[4-[[(4Z)-1-methylcyclooct-4-en-1-yl]methoxy]phenyl]-phenylmethanone

C23H26O2 — CID 167467427

IUPAC[4-[[(4Z)-1-methylcyclooct-4-en-1-yl]methoxy]phenyl]-phenylmethanone
SMILESCC1(COc2ccc(C(=O)c3ccccc3)cc2)CC/C=C\CCC1
InChIInChI=1S/C23H26O2/c1-23(16-8-3-2-4-9-17-23)18-25-21-14-12-20(13-15-21)22(24)19-10-6-5-7-11-19/h2-3,5-7,10-15H,4,8-9,16-18H2,1H3/b3-2-
InChIKeyFEEDWCKMJMNKJU-IHWYPQMZSA-N
MW334.46 g/mol
LogP5.82
Rot. Bonds5

About [4-[[(4Z)-1-methylcyclooct-4-en-1-yl]methoxy]phenyl]-phenylmethanone

[4-[[(4Z)-1-methylcyclooct-4-en-1-yl]methoxy]phenyl]-phenylmethanone (PubChem CID 167467427) has the molecular formula C23H26O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is [4-[[(4Z)-1-methylcyclooct-4-en-1-yl]methoxy]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-[[(4Z)-1-methylcyclooct-4-en-1-yl]methoxy]phenyl]-phenylmethanone
PubChem CID167467427
Molecular FormulaC23H26O2
Molecular Weight334.46 g/mol
Exact Mass334.19
IUPAC Name[4-[[(4Z)-1-methylcyclooct-4-en-1-yl]methoxy]phenyl]-phenylmethanone
SMILESCC1(COc2ccc(C(=O)c3ccccc3)cc2)CC/C=C\CCC1
InChIInChI=1S/C23H26O2/c1-23(16-8-3-2-4-9-17-23)18-25-21-14-12-20(13-15-21)22(24)19-10-6-5-7-11-19/h2-3,5-7,10-15H,4,8-9,16-18H2,1H3/b3-2-
InChIKeyFEEDWCKMJMNKJU-IHWYPQMZSA-N
XLogP5.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.46
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-[[(4Z)-1-methylcyclooct-4-en-1-yl]methoxy]phenyl]-phenylmethanone?
The IUPAC name of [4-[[(4Z)-1-methylcyclooct-4-en-1-yl]methoxy]phenyl]-phenylmethanone (CID 167467427) is [4-[[(4Z)-1-methylcyclooct-4-en-1-yl]methoxy]phenyl]-phenylmethanone.
What is the SMILES notation for [4-[[(4Z)-1-methylcyclooct-4-en-1-yl]methoxy]phenyl]-phenylmethanone?
The canonical SMILES for [4-[[(4Z)-1-methylcyclooct-4-en-1-yl]methoxy]phenyl]-phenylmethanone is CC1(COc2ccc(C(=O)c3ccccc3)cc2)CC/C=C\CCC1.
What is the InChIKey of [4-[[(4Z)-1-methylcyclooct-4-en-1-yl]methoxy]phenyl]-phenylmethanone?
The InChIKey is FEEDWCKMJMNKJU-IHWYPQMZSA-N. The full InChI is InChI=1S/C23H26O2/c1-23(16-8-3-2-4-9-17-23)18-25-21-14-12-20(13-15-21)22(24)19-10-6-5-7-11-19/h2-3,5-7,10-15H,4,8-9,16-18H2,1H3/b3-2-.
What are the key properties of [4-[[(4Z)-1-methylcyclooct-4-en-1-yl]methoxy]phenyl]-phenylmethanone?
[4-[[(4Z)-1-methylcyclooct-4-en-1-yl]methoxy]phenyl]-phenylmethanone has a molecular weight of 334.46 g/mol, XLogP of 5.82, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(4Z)-1-methylcyclooct-4-en-1-yl]methoxy]phenyl]-phenylmethanone is sourced from PubChem (CID 167467427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).