2-[(4-chlorophenyl)methoxy]-5-(4-hydroxy-3,5-dimethylphenyl)benzaldehyde

C22H19ClO3 — CID 172688033

IUPAC2-[(4-chlorophenyl)methoxy]-5-(4-hydroxy-3,5-dimethylphenyl)benzaldehyde
SMILESCc1cc(-c2ccc(OCc3ccc(Cl)cc3)c(C=O)c2)cc(C)c1O
InChIInChI=1S/C22H19ClO3/c1-14-9-18(10-15(2)22(14)25)17-5-8-21(19(11-17)12-24)26-13-16-3-6-20(23)7-4-16/h3-12,25H,13H2,1-2H3
InChIKeyBHKJBIZNKANYMO-UHFFFAOYSA-N
MW366.84 g/mol
LogP5.72
Rot. Bonds5

About 2-[(4-chlorophenyl)methoxy]-5-(4-hydroxy-3,5-dimethylphenyl)benzaldehyde

2-[(4-chlorophenyl)methoxy]-5-(4-hydroxy-3,5-dimethylphenyl)benzaldehyde (PubChem CID 172688033) has the molecular formula C22H19ClO3 and a molecular weight of 366.84 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methoxy]-5-(4-hydroxy-3,5-dimethylphenyl)benzaldehyde.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methoxy]-5-(4-hydroxy-3,5-dimethylphenyl)benzaldehyde
PubChem CID172688033
Molecular FormulaC22H19ClO3
Molecular Weight366.84 g/mol
Exact Mass366.10
IUPAC Name2-[(4-chlorophenyl)methoxy]-5-(4-hydroxy-3,5-dimethylphenyl)benzaldehyde
SMILESCc1cc(-c2ccc(OCc3ccc(Cl)cc3)c(C=O)c2)cc(C)c1O
InChIInChI=1S/C22H19ClO3/c1-14-9-18(10-15(2)22(14)25)17-5-8-21(19(11-17)12-24)26-13-16-3-6-20(23)7-4-16/h3-12,25H,13H2,1-2H3
InChIKeyBHKJBIZNKANYMO-UHFFFAOYSA-N
XLogP5.72
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.84
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-[(4-methylphenyl)methoxy]benzaldehyde
CID 892242
2-[(4-chlorophenyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]benzaldehyde
CID 58007960
5-(3,5-dimethylphenyl)-2-phenylmethoxybenzaldehyde
CID 172650078
5-chloro-2-[(2,6-dimethyl-4-pyridinyl)methoxy]benzaldehyde;ethane
CID 142322438
4-[4-[(2-fluorophenoxy)methyl]phenyl]-2,6-dimethylphenol
CID 130456710
5-methyl-2-[(4-propan-2-ylphenyl)methoxy]benzaldehyde
CID 63529851
5-(3-fluoro-4-phenylmethoxyphenyl)-2-hydroxy-3-methoxybenzaldehyde
CID 59599822
2-[(3-chlorophenyl)methoxy]-5-methylbenzaldehyde
CID 55206091
2-[(3-chloro-4-fluorophenyl)methoxy]-5-fluorobenzaldehyde
CID 107697201
5-chloro-2-[(2,5-dimethylphenyl)methoxy]benzaldehyde
CID 63530846
5-methyl-2-phenylmethoxybenzaldehyde
CID 1247883
3-chloro-4-[(4-chlorophenyl)methoxy]benzaldehyde
CID 818787

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methoxy]-5-(4-hydroxy-3,5-dimethylphenyl)benzaldehyde?
The IUPAC name of 2-[(4-chlorophenyl)methoxy]-5-(4-hydroxy-3,5-dimethylphenyl)benzaldehyde (CID 172688033) is 2-[(4-chlorophenyl)methoxy]-5-(4-hydroxy-3,5-dimethylphenyl)benzaldehyde.
What is the SMILES notation for 2-[(4-chlorophenyl)methoxy]-5-(4-hydroxy-3,5-dimethylphenyl)benzaldehyde?
The canonical SMILES for 2-[(4-chlorophenyl)methoxy]-5-(4-hydroxy-3,5-dimethylphenyl)benzaldehyde is Cc1cc(-c2ccc(OCc3ccc(Cl)cc3)c(C=O)c2)cc(C)c1O.
What is the InChIKey of 2-[(4-chlorophenyl)methoxy]-5-(4-hydroxy-3,5-dimethylphenyl)benzaldehyde?
The InChIKey is BHKJBIZNKANYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClO3/c1-14-9-18(10-15(2)22(14)25)17-5-8-21(19(11-17)12-24)26-13-16-3-6-20(23)7-4-16/h3-12,25H,13H2,1-2H3.
What are the key properties of 2-[(4-chlorophenyl)methoxy]-5-(4-hydroxy-3,5-dimethylphenyl)benzaldehyde?
2-[(4-chlorophenyl)methoxy]-5-(4-hydroxy-3,5-dimethylphenyl)benzaldehyde has a molecular weight of 366.84 g/mol, XLogP of 5.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methoxy]-5-(4-hydroxy-3,5-dimethylphenyl)benzaldehyde is sourced from PubChem (CID 172688033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).