(2R)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)-2-methylpropanal

C17H17ClO2 — CID 42177102

IUPAC(2R)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)-2-methylpropanal
SMILESCOc1ccc(C[C@@](C)(C=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H17ClO2/c1-17(12-19,14-5-7-15(18)8-6-14)11-13-3-9-16(20-2)10-4-13/h3-10,12H,11H2,1-2H3/t17-/m0/s1
InChIKeyRHVQYQQKFHMGJZ-KRWDZBQOSA-N
MW288.77 g/mol
LogP4.05
Rot. Bonds5

About (2R)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)-2-methylpropanal

(2R)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)-2-methylpropanal (PubChem CID 42177102) has the molecular formula C17H17ClO2 and a molecular weight of 288.77 g/mol. Its IUPAC name is (2R)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)-2-methylpropanal.

Molecular Properties

Compound Name(2R)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)-2-methylpropanal
PubChem CID42177102
Molecular FormulaC17H17ClO2
Molecular Weight288.77 g/mol
Exact Mass288.09
IUPAC Name(2R)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)-2-methylpropanal
SMILESCOc1ccc(C[C@@](C)(C=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H17ClO2/c1-17(12-19,14-5-7-15(18)8-6-14)11-13-3-9-16(20-2)10-4-13/h3-10,12H,11H2,1-2H3/t17-/m0/s1
InChIKeyRHVQYQQKFHMGJZ-KRWDZBQOSA-N
XLogP4.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.77
LogP ≤ 54.05
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

(2R)-2-(4-chlorophenyl)-2-[(4-methoxyphenyl)methyl]but-3-en-1-ol
CID 164675939
2,2-difluoro-3-(4-methoxyphenyl)propanal
CID 54572596
2-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)propan-2-yl]acetamide
CID 113091682
1-[1,3-bis(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]propan-2-yl]-4-methoxybenzene
CID 71248389
1-[(4-chlorophenyl)methoxy]-2-(4-methoxyphenyl)-N,N-dimethylpropan-2-amine
CID 12926478
2-(4-chlorophenyl)-1-[(4-methoxyphenyl)methylsulfonyl]propan-2-ol
CID 3704416
1,2-bis(4-methoxyphenyl)propan-2-amine
CID 63273092
(4-chlorophenyl)methanamine;(4-methoxyphenyl)methanamine
CID 69469244
2-chloro-2-(4-methoxyphenyl)propanal
CID 174937779
1-[(4-chlorophenyl)methyl]-3-[2-(4-methoxyphenyl)propan-2-yl]urea
CID 113216421
1-[(4-chlorophenyl)methyl]-3-[2-(4-methoxyphenyl)-2-methylpropyl]urea
CID 113213547
2-(4-methoxyphenyl)-1-(4-methylphenyl)propan-2-ol
CID 60798775

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)-2-methylpropanal?
The IUPAC name of (2R)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)-2-methylpropanal (CID 42177102) is (2R)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)-2-methylpropanal.
What is the SMILES notation for (2R)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)-2-methylpropanal?
The canonical SMILES for (2R)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)-2-methylpropanal is COc1ccc(C[C@@](C)(C=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of (2R)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)-2-methylpropanal?
The InChIKey is RHVQYQQKFHMGJZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H17ClO2/c1-17(12-19,14-5-7-15(18)8-6-14)11-13-3-9-16(20-2)10-4-13/h3-10,12H,11H2,1-2H3/t17-/m0/s1.
What are the key properties of (2R)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)-2-methylpropanal?
(2R)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)-2-methylpropanal has a molecular weight of 288.77 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)-2-methylpropanal is sourced from PubChem (CID 42177102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).