3-chloro-4-(4-phenylmethoxyphenyl)-5-propan-2-ylbenzaldehyde

C23H21ClO2 — CID 101137302

IUPAC3-chloro-4-(4-phenylmethoxyphenyl)-5-propan-2-ylbenzaldehyde
SMILESCC(C)c1cc(C=O)cc(Cl)c1-c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C23H21ClO2/c1-16(2)21-12-18(14-25)13-22(24)23(21)19-8-10-20(11-9-19)26-15-17-6-4-3-5-7-17/h3-14,16H,15H2,1-2H3
InChIKeyRYYARCDGSUSAPX-UHFFFAOYSA-N
MW364.87 g/mol
LogP6.52
Rot. Bonds6

About 3-chloro-4-(4-phenylmethoxyphenyl)-5-propan-2-ylbenzaldehyde

3-chloro-4-(4-phenylmethoxyphenyl)-5-propan-2-ylbenzaldehyde (PubChem CID 101137302) has the molecular formula C23H21ClO2 and a molecular weight of 364.87 g/mol. Its IUPAC name is 3-chloro-4-(4-phenylmethoxyphenyl)-5-propan-2-ylbenzaldehyde.

Molecular Properties

Compound Name3-chloro-4-(4-phenylmethoxyphenyl)-5-propan-2-ylbenzaldehyde
PubChem CID101137302
Molecular FormulaC23H21ClO2
Molecular Weight364.87 g/mol
Exact Mass364.12
IUPAC Name3-chloro-4-(4-phenylmethoxyphenyl)-5-propan-2-ylbenzaldehyde
SMILESCC(C)c1cc(C=O)cc(Cl)c1-c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C23H21ClO2/c1-16(2)21-12-18(14-25)13-22(24)23(21)19-8-10-20(11-9-19)26-15-17-6-4-3-5-7-17/h3-14,16H,15H2,1-2H3
InChIKeyRYYARCDGSUSAPX-UHFFFAOYSA-N
XLogP6.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.87
LogP ≤ 56.52
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

3,5-dimethoxy-4-(4-phenylmethoxyphenyl)benzaldehyde
CID 22670004
4-(2,6-dimethyl-4-phenylmethoxyphenyl)benzaldehyde
CID 101137305
3,5-difluoro-2-(4-phenylmethoxyphenyl)benzaldehyde
CID 170457674
3-phenylmethoxy-5-(1,3,5-trimethylpyrazol-4-yl)benzaldehyde
CID 172651308
3,5-bis[(4-ethoxyphenyl)methoxy]benzaldehyde
CID 25120528
1-(2-chloro-5-phenylmethoxyphenyl)ethanol
CID 83988712
4-(4-ethoxyphenoxy)-1-phenylmethoxy-2-propan-2-ylbenzene
CID 21466253
4-[[3-[(4-formylphenoxy)methyl]phenyl]methoxy]benzaldehyde
CID 19038438
1-butan-2-yl-2-chloro-4-phenylmethoxybenzene
CID 123587275
3-methyl-2-[(4-phenylmethoxyphenyl)methylidene]butanal
CID 79323761
6-(4-phenylmethoxyphenoxy)pyridine-3-carbaldehyde
CID 172879447
4-phenylmethoxy-2-propan-2-ylbenzoic acid
CID 23134235

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(4-phenylmethoxyphenyl)-5-propan-2-ylbenzaldehyde?
The IUPAC name of 3-chloro-4-(4-phenylmethoxyphenyl)-5-propan-2-ylbenzaldehyde (CID 101137302) is 3-chloro-4-(4-phenylmethoxyphenyl)-5-propan-2-ylbenzaldehyde.
What is the SMILES notation for 3-chloro-4-(4-phenylmethoxyphenyl)-5-propan-2-ylbenzaldehyde?
The canonical SMILES for 3-chloro-4-(4-phenylmethoxyphenyl)-5-propan-2-ylbenzaldehyde is CC(C)c1cc(C=O)cc(Cl)c1-c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 3-chloro-4-(4-phenylmethoxyphenyl)-5-propan-2-ylbenzaldehyde?
The InChIKey is RYYARCDGSUSAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClO2/c1-16(2)21-12-18(14-25)13-22(24)23(21)19-8-10-20(11-9-19)26-15-17-6-4-3-5-7-17/h3-14,16H,15H2,1-2H3.
What are the key properties of 3-chloro-4-(4-phenylmethoxyphenyl)-5-propan-2-ylbenzaldehyde?
3-chloro-4-(4-phenylmethoxyphenyl)-5-propan-2-ylbenzaldehyde has a molecular weight of 364.87 g/mol, XLogP of 6.52, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(4-phenylmethoxyphenyl)-5-propan-2-ylbenzaldehyde is sourced from PubChem (CID 101137302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).