1-chloro-3-propylbenzene;formyl chloride

C10H12Cl2O — CID 174310499

IUPAC1-chloro-3-propylbenzene;formyl chloride
SMILESCCCc1cccc(Cl)c1.O=CCl
InChIInChI=1S/C9H11Cl.CHClO/c1-2-4-8-5-3-6-9(10)7-8;2-1-3/h3,5-7H,2,4H2,1H3;1H
InChIKeyKGDGENGEDWIFJB-UHFFFAOYSA-N
MW219.11 g/mol
LogP3.71
Rot. Bonds2

About 1-chloro-3-propylbenzene;formyl chloride

1-chloro-3-propylbenzene;formyl chloride (PubChem CID 174310499) has the molecular formula C10H12Cl2O and a molecular weight of 219.11 g/mol. Its IUPAC name is 1-chloro-3-propylbenzene;formyl chloride.

Molecular Properties

Compound Name1-chloro-3-propylbenzene;formyl chloride
PubChem CID174310499
Molecular FormulaC10H12Cl2O
Molecular Weight219.11 g/mol
Exact Mass218.03
IUPAC Name1-chloro-3-propylbenzene;formyl chloride
SMILESCCCc1cccc(Cl)c1.O=CCl
InChIInChI=1S/C9H11Cl.CHClO/c1-2-4-8-5-3-6-9(10)7-8;2-1-3/h3,5-7H,2,4H2,1H3;1H
InChIKeyKGDGENGEDWIFJB-UHFFFAOYSA-N
XLogP3.71
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.11
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-3-octylbenzene
CID 11458768
4-chloro-2-(3-propylphenyl)benzaldehyde
CID 116545276
1-chloro-3-(3-methylidenehexyl)benzene
CID 142053887
butane;1,3-dichlorobenzene
CID 174455068
N-[3-(3-chlorophenyl)propyl]pentanamide
CID 10562858
2-chloro-4-(3-propylphenoxy)benzaldehyde
CID 58022595
diethyl 2-[2-(3-chlorophenyl)ethyl]propanedioate
CID 14711442
2-(3-chlorophenyl)ethyl-methylazanium
CID 42149679
6-(3-chlorophenyl)hexan-3-one
CID 64520537
5-chloro-1-[(3-chlorophenyl)methyl]-3-propylpyrazole-4-carbaldehyde
CID 63278953
1-[(3-chlorophenyl)methyl]-5-propyltriazole-4-carbaldehyde
CID 82203617
1-chloro-3-(3-methylpentyl)benzene
CID 57308391

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-propylbenzene;formyl chloride?
The IUPAC name of 1-chloro-3-propylbenzene;formyl chloride (CID 174310499) is 1-chloro-3-propylbenzene;formyl chloride.
What is the SMILES notation for 1-chloro-3-propylbenzene;formyl chloride?
The canonical SMILES for 1-chloro-3-propylbenzene;formyl chloride is CCCc1cccc(Cl)c1.O=CCl.
What is the InChIKey of 1-chloro-3-propylbenzene;formyl chloride?
The InChIKey is KGDGENGEDWIFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl.CHClO/c1-2-4-8-5-3-6-9(10)7-8;2-1-3/h3,5-7H,2,4H2,1H3;1H.
What are the key properties of 1-chloro-3-propylbenzene;formyl chloride?
1-chloro-3-propylbenzene;formyl chloride has a molecular weight of 219.11 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-propylbenzene;formyl chloride is sourced from PubChem (CID 174310499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).