(2S)-2-cyclopentyl-2-(2,3-dichloro-4-methoxyphenyl)acetaldehyde

C14H16Cl2O2 — CID 155391344

IUPAC(2S)-2-cyclopentyl-2-(2,3-dichloro-4-methoxyphenyl)acetaldehyde
SMILESCOc1ccc([C@@H](C=O)C2CCCC2)c(Cl)c1Cl
InChIInChI=1S/C14H16Cl2O2/c1-18-12-7-6-10(13(15)14(12)16)11(8-17)9-4-2-3-5-9/h6-9,11H,2-5H2,1H3/t11-/m0/s1
InChIKeyYQVQKQBELNHHKN-NSHDSACASA-N
MW287.19 g/mol
LogP4.47
Rot. Bonds4

About (2S)-2-cyclopentyl-2-(2,3-dichloro-4-methoxyphenyl)acetaldehyde

(2S)-2-cyclopentyl-2-(2,3-dichloro-4-methoxyphenyl)acetaldehyde (PubChem CID 155391344) has the molecular formula C14H16Cl2O2 and a molecular weight of 287.19 g/mol. Its IUPAC name is (2S)-2-cyclopentyl-2-(2,3-dichloro-4-methoxyphenyl)acetaldehyde.

Molecular Properties

Compound Name(2S)-2-cyclopentyl-2-(2,3-dichloro-4-methoxyphenyl)acetaldehyde
PubChem CID155391344
Molecular FormulaC14H16Cl2O2
Molecular Weight287.19 g/mol
Exact Mass286.05
IUPAC Name(2S)-2-cyclopentyl-2-(2,3-dichloro-4-methoxyphenyl)acetaldehyde
SMILESCOc1ccc([C@@H](C=O)C2CCCC2)c(Cl)c1Cl
InChIInChI=1S/C14H16Cl2O2/c1-18-12-7-6-10(13(15)14(12)16)11(8-17)9-4-2-3-5-9/h6-9,11H,2-5H2,1H3/t11-/m0/s1
InChIKeyYQVQKQBELNHHKN-NSHDSACASA-N
XLogP4.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.19
LogP ≤ 54.47
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

2-(4-chlorophenyl)-2-cyclopentylacetaldehyde
CID 102576146
(R)-(2-chloro-3,4-dimethoxyphenyl)-cyclohexylmethanamine
CID 171202015
(5-chloro-2-methoxyphenyl)-cycloheptylmethanamine
CID 65399712
2-[bromo(cyclopentyl)methyl]-4-chloro-1-methoxybenzene
CID 104546446
(5-chloro-2-methoxyphenyl)-cyclooctylmethanol
CID 80603904
1-[chloro(cyclopentyl)methyl]-2,3,4-trimethoxybenzene
CID 61084262
1-(3-chloro-2,4-dimethoxyphenyl)-2-cyclobutyl-N-methylethanamine
CID 103163381
(1R,2S)-2-amino-2-(2-chloro-3,4-dimethoxyphenyl)-1-cyclohexylethanol;hydrochloride
CID 171267308
(1S,2R)-2-amino-2-(2-chloro-3,4-dimethoxyphenyl)-1-cyclohexylethanol;hydrochloride
CID 171261620
2-(5-chloro-2-methoxyphenyl)-2-cyclopentylacetonitrile
CID 79019427
2-(5-chloro-2-methoxyphenyl)-2-methoxyacetaldehyde
CID 83835537
2-cyclopentyl-2-(3,4-dichlorophenyl)acetaldehyde
CID 87324074

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclopentyl-2-(2,3-dichloro-4-methoxyphenyl)acetaldehyde?
The IUPAC name of (2S)-2-cyclopentyl-2-(2,3-dichloro-4-methoxyphenyl)acetaldehyde (CID 155391344) is (2S)-2-cyclopentyl-2-(2,3-dichloro-4-methoxyphenyl)acetaldehyde.
What is the SMILES notation for (2S)-2-cyclopentyl-2-(2,3-dichloro-4-methoxyphenyl)acetaldehyde?
The canonical SMILES for (2S)-2-cyclopentyl-2-(2,3-dichloro-4-methoxyphenyl)acetaldehyde is COc1ccc([C@@H](C=O)C2CCCC2)c(Cl)c1Cl.
What is the InChIKey of (2S)-2-cyclopentyl-2-(2,3-dichloro-4-methoxyphenyl)acetaldehyde?
The InChIKey is YQVQKQBELNHHKN-NSHDSACASA-N. The full InChI is InChI=1S/C14H16Cl2O2/c1-18-12-7-6-10(13(15)14(12)16)11(8-17)9-4-2-3-5-9/h6-9,11H,2-5H2,1H3/t11-/m0/s1.
What are the key properties of (2S)-2-cyclopentyl-2-(2,3-dichloro-4-methoxyphenyl)acetaldehyde?
(2S)-2-cyclopentyl-2-(2,3-dichloro-4-methoxyphenyl)acetaldehyde has a molecular weight of 287.19 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclopentyl-2-(2,3-dichloro-4-methoxyphenyl)acetaldehyde is sourced from PubChem (CID 155391344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).