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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Related Compounds

4-[4-[(3,5-dimethylphenyl)methoxy]phenyl]cyclohexan-1-ol
CID 122498275
1,3-dimethyl-5-[[4-(4-methylphenyl)cyclohexyl]oxymethyl]benzene
CID 144924352
4-(4-propylphenyl)cyclohexane-1-carbaldehyde
CID 86668457
1-[(4-iodophenoxy)methyl]-3,5-dimethylbenzene
CID 60644543
(E)-3-[4-[(3,5-dimethylphenyl)methoxy]phenyl]prop-2-enoic acid
CID 61029647
2,2,6,6-tetradeuterio-4-(4-ethoxyphenyl)cyclohexane-1-carbaldehyde
CID 54438222
1,3-dimethyl-5-(phenoxymethyl)benzene
CID 20649368
1,3-dimethyl-5-[(4-methylsulfonylphenoxy)methyl]benzene
CID 23017924
(1S)-1-[4-[(3,5-dimethylphenyl)methoxy]phenyl]ethanamine
CID 78933049
1-methoxy-4-[[4-(4-methylcyclohexyl)phenyl]methoxy]benzene
CID 118595910
4-(4-bromophenyl)cyclohexane-1-carbaldehyde
CID 19097901
1-(4-but-1-enylcyclohexyl)-4-[[4-(prop-2-enoxymethyl)phenyl]methoxy]benzene
CID 67676474

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).