(3-formylphenyl) (2S)-2-chloropropanoate

C10H9ClO3 — CID 10998344

IUPAC(3-formylphenyl) (2S)-2-chloropropanoate
SMILESC[C@H](Cl)C(=O)Oc1cccc(C=O)c1
InChIInChI=1S/C10H9ClO3/c1-7(11)10(13)14-9-4-2-3-8(5-9)6-12/h2-7H,1H3/t7-/m0/s1
InChIKeyDJAZYNBDCKTUBU-ZETCQYMHSA-N
MW212.63 g/mol
LogP2.03
Rot. Bonds3

About (3-formylphenyl) (2S)-2-chloropropanoate

(3-formylphenyl) (2S)-2-chloropropanoate (PubChem CID 10998344) has the molecular formula C10H9ClO3 and a molecular weight of 212.63 g/mol. Its IUPAC name is (3-formylphenyl) (2S)-2-chloropropanoate.

Molecular Properties

Compound Name(3-formylphenyl) (2S)-2-chloropropanoate
PubChem CID10998344
Molecular FormulaC10H9ClO3
Molecular Weight212.63 g/mol
Exact Mass212.02
IUPAC Name(3-formylphenyl) (2S)-2-chloropropanoate
SMILESC[C@H](Cl)C(=O)Oc1cccc(C=O)c1
InChIInChI=1S/C10H9ClO3/c1-7(11)10(13)14-9-4-2-3-8(5-9)6-12/h2-7H,1H3/t7-/m0/s1
InChIKeyDJAZYNBDCKTUBU-ZETCQYMHSA-N
XLogP2.03
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.63
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis(3-formylphenyl) oxalate
CID 10968521
(2R)-2-(3-formylphenoxy)propanoic acid
CID 907308
(3-formylphenyl) 4-propan-2-yloxybenzoate
CID 23011947
(3-formylphenyl) 3-chloropropanoate
CID 87706674
(3-formylphenyl) 2-methoxyacetate
CID 39199878
(3-formylphenyl) 4-methylbenzoate
CID 807171
(3-formylphenyl) N,N-diethylcarbamate
CID 46832010
(3-formylphenyl) (E)-3-(4-chlorophenyl)prop-2-enoate
CID 39199925
(3-formylphenyl) furan-2-carboxylate
CID 565183
(3-formylphenyl) 1-ethylcyclobutane-1-carboxylate
CID 87316122
(3-formylphenyl) 3,4-dimethoxybenzoate
CID 40560630
[3-[(Z)-2-(3-methoxycarbonyloxyphenyl)ethenyl]phenyl] methyl carbonate
CID 67721243

Frequently Asked Questions

What is the IUPAC name of (3-formylphenyl) (2S)-2-chloropropanoate?
The IUPAC name of (3-formylphenyl) (2S)-2-chloropropanoate (CID 10998344) is (3-formylphenyl) (2S)-2-chloropropanoate.
What is the SMILES notation for (3-formylphenyl) (2S)-2-chloropropanoate?
The canonical SMILES for (3-formylphenyl) (2S)-2-chloropropanoate is C[C@H](Cl)C(=O)Oc1cccc(C=O)c1.
What is the InChIKey of (3-formylphenyl) (2S)-2-chloropropanoate?
The InChIKey is DJAZYNBDCKTUBU-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H9ClO3/c1-7(11)10(13)14-9-4-2-3-8(5-9)6-12/h2-7H,1H3/t7-/m0/s1.
What are the key properties of (3-formylphenyl) (2S)-2-chloropropanoate?
(3-formylphenyl) (2S)-2-chloropropanoate has a molecular weight of 212.63 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-formylphenyl) (2S)-2-chloropropanoate is sourced from PubChem (CID 10998344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).