2-chloro-2-(4-methoxyphenyl)propanal

C10H11ClO2 — CID 174937779

IUPAC2-chloro-2-(4-methoxyphenyl)propanal
SMILESCOc1ccc(C(C)(Cl)C=O)cc1
InChIInChI=1S/C10H11ClO2/c1-10(11,7-12)8-3-5-9(13-2)6-4-8/h3-7H,1-2H3
InChIKeyXQHVKMJWSORVCS-UHFFFAOYSA-N
MW198.65 g/mol
LogP2.35
Rot. Bonds3

About 2-chloro-2-(4-methoxyphenyl)propanal

2-chloro-2-(4-methoxyphenyl)propanal (PubChem CID 174937779) has the molecular formula C10H11ClO2 and a molecular weight of 198.65 g/mol. Its IUPAC name is 2-chloro-2-(4-methoxyphenyl)propanal.

Molecular Properties

Compound Name2-chloro-2-(4-methoxyphenyl)propanal
PubChem CID174937779
Molecular FormulaC10H11ClO2
Molecular Weight198.65 g/mol
Exact Mass198.04
IUPAC Name2-chloro-2-(4-methoxyphenyl)propanal
SMILESCOc1ccc(C(C)(Cl)C=O)cc1
InChIInChI=1S/C10H11ClO2/c1-10(11,7-12)8-3-5-9(13-2)6-4-8/h3-7H,1-2H3
InChIKeyXQHVKMJWSORVCS-UHFFFAOYSA-N
XLogP2.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 102373172
CID 102373172
(3S)-3-hydroxy-3-(4-methoxyphenyl)butanal
CID 97030756
2-bromo-2-(4-methoxyphenyl)-2-pyridin-4-ylacetaldehyde
CID 88698167
[4-[(1S)-1-chloro-1-(4-methoxyphenyl)ethyl]phenoxy]phosphane
CID 71129441
1-methoxy-4-[1-methoxy-1-(4-methoxyphenyl)ethyl]benzene
CID 100982680
1-methoxy-4-[2,2,2-trichloro-1-methoxy-1-(4-methoxyphenyl)ethyl]benzene
CID 91491822
4-[1-(4-hydroxyphenyl)-1-(4-methoxyphenyl)ethyl]phenol
CID 19875161
(2R)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)-2-methylpropanal
CID 42177102
1,4-bis[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]benzene
CID 88568102
bis[2-(4-methoxyphenyl)propan-2-yl]diazene
CID 101224810
3,3-difluoro-3-(4-methoxyphenyl)propanal
CID 105452631
3-(4-methoxyphenyl)-2,2-dimethyl-3-oxopropanal
CID 121013341

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-(4-methoxyphenyl)propanal?
The IUPAC name of 2-chloro-2-(4-methoxyphenyl)propanal (CID 174937779) is 2-chloro-2-(4-methoxyphenyl)propanal.
What is the SMILES notation for 2-chloro-2-(4-methoxyphenyl)propanal?
The canonical SMILES for 2-chloro-2-(4-methoxyphenyl)propanal is COc1ccc(C(C)(Cl)C=O)cc1.
What is the InChIKey of 2-chloro-2-(4-methoxyphenyl)propanal?
The InChIKey is XQHVKMJWSORVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO2/c1-10(11,7-12)8-3-5-9(13-2)6-4-8/h3-7H,1-2H3.
What are the key properties of 2-chloro-2-(4-methoxyphenyl)propanal?
2-chloro-2-(4-methoxyphenyl)propanal has a molecular weight of 198.65 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-(4-methoxyphenyl)propanal is sourced from PubChem (CID 174937779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).