4-[4-[(3,5-dimethylphenyl)methoxy]phenyl]cyclohexane-1-carbaldehyde

C22H26O2 — CID 144517804

IUPAC4-[4-[(3,5-dimethylphenyl)methoxy]phenyl]cyclohexane-1-carbaldehyde
SMILESCc1cc(C)cc(COc2ccc(C3CCC(C=O)CC3)cc2)c1
InChIInChI=1S/C22H26O2/c1-16-11-17(2)13-19(12-16)15-24-22-9-7-21(8-10-22)20-5-3-18(14-23)4-6-20/h7-14,18,20H,3-6,15H2,1-2H3
InChIKeySRDYNWMDZJFQRP-UHFFFAOYSA-N
MW322.45 g/mol
LogP5.36
Rot. Bonds5

About 4-[4-[(3,5-dimethylphenyl)methoxy]phenyl]cyclohexane-1-carbaldehyde

4-[4-[(3,5-dimethylphenyl)methoxy]phenyl]cyclohexane-1-carbaldehyde (PubChem CID 144517804) has the molecular formula C22H26O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is 4-[4-[(3,5-dimethylphenyl)methoxy]phenyl]cyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name4-[4-[(3,5-dimethylphenyl)methoxy]phenyl]cyclohexane-1-carbaldehyde
PubChem CID144517804
Molecular FormulaC22H26O2
Molecular Weight322.45 g/mol
Exact Mass322.19
IUPAC Name4-[4-[(3,5-dimethylphenyl)methoxy]phenyl]cyclohexane-1-carbaldehyde
SMILESCc1cc(C)cc(COc2ccc(C3CCC(C=O)CC3)cc2)c1
InChIInChI=1S/C22H26O2/c1-16-11-17(2)13-19(12-16)15-24-22-9-7-21(8-10-22)20-5-3-18(14-23)4-6-20/h7-14,18,20H,3-6,15H2,1-2H3
InChIKeySRDYNWMDZJFQRP-UHFFFAOYSA-N
XLogP5.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.45
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(3,5-dimethylphenyl)methoxy]phenyl]cyclohexane-1-carbaldehyde?
The IUPAC name of 4-[4-[(3,5-dimethylphenyl)methoxy]phenyl]cyclohexane-1-carbaldehyde (CID 144517804) is 4-[4-[(3,5-dimethylphenyl)methoxy]phenyl]cyclohexane-1-carbaldehyde.
What is the SMILES notation for 4-[4-[(3,5-dimethylphenyl)methoxy]phenyl]cyclohexane-1-carbaldehyde?
The canonical SMILES for 4-[4-[(3,5-dimethylphenyl)methoxy]phenyl]cyclohexane-1-carbaldehyde is Cc1cc(C)cc(COc2ccc(C3CCC(C=O)CC3)cc2)c1.
What is the InChIKey of 4-[4-[(3,5-dimethylphenyl)methoxy]phenyl]cyclohexane-1-carbaldehyde?
The InChIKey is SRDYNWMDZJFQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26O2/c1-16-11-17(2)13-19(12-16)15-24-22-9-7-21(8-10-22)20-5-3-18(14-23)4-6-20/h7-14,18,20H,3-6,15H2,1-2H3.
What are the key properties of 4-[4-[(3,5-dimethylphenyl)methoxy]phenyl]cyclohexane-1-carbaldehyde?
4-[4-[(3,5-dimethylphenyl)methoxy]phenyl]cyclohexane-1-carbaldehyde has a molecular weight of 322.45 g/mol, XLogP of 5.36, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(3,5-dimethylphenyl)methoxy]phenyl]cyclohexane-1-carbaldehyde is sourced from PubChem (CID 144517804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).