4-(3-chloroprop-1-enyl)-1-methoxy-2-propoxybenzene

C13H17ClO2 — CID 79323774

IUPAC4-(3-chloroprop-1-enyl)-1-methoxy-2-propoxybenzene
SMILESCCCOc1cc(C=CCCl)ccc1OC
InChIInChI=1S/C13H17ClO2/c1-3-9-16-13-10-11(5-4-8-14)6-7-12(13)15-2/h4-7,10H,3,8-9H2,1-2H3
InChIKeyUVHWWRSGPCXIFD-UHFFFAOYSA-N
MW240.73 g/mol
LogP3.74
Rot. Bonds6

About 4-(3-chloroprop-1-enyl)-1-methoxy-2-propoxybenzene

4-(3-chloroprop-1-enyl)-1-methoxy-2-propoxybenzene (PubChem CID 79323774) has the molecular formula C13H17ClO2 and a molecular weight of 240.73 g/mol. Its IUPAC name is 4-(3-chloroprop-1-enyl)-1-methoxy-2-propoxybenzene.

Molecular Properties

Compound Name4-(3-chloroprop-1-enyl)-1-methoxy-2-propoxybenzene
PubChem CID79323774
Molecular FormulaC13H17ClO2
Molecular Weight240.73 g/mol
Exact Mass240.09
IUPAC Name4-(3-chloroprop-1-enyl)-1-methoxy-2-propoxybenzene
SMILESCCCOc1cc(C=CCCl)ccc1OC
InChIInChI=1S/C13H17ClO2/c1-3-9-16-13-10-11(5-4-8-14)6-7-12(13)15-2/h4-7,10H,3,8-9H2,1-2H3
InChIKeyUVHWWRSGPCXIFD-UHFFFAOYSA-N
XLogP3.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(4-methoxy-3-propoxyphenyl)prop-2-enoyl chloride
CID 82042141
(E)-3-(4-methoxy-3-propoxyphenyl)prop-2-enoic acid
CID 20534154
4-(3-chloroprop-1-enyl)-2-(difluoromethoxy)-1-methoxybenzene
CID 79334494
3-(4-methoxy-3-propoxyphenyl)-2-methylprop-2-en-1-ol
CID 79335246
5-(3-chloroprop-1-enyl)-2-methoxyphenol
CID 169477190
4-[2-(chloromethyl)-3-methylbut-1-enyl]-1-methoxy-2-propoxybenzene
CID 79334021
(E)-4-(4-methoxy-3-propoxyphenyl)-2-oxobut-3-enoic acid
CID 82161364
1,2-dimethoxy-4-[(E)-pent-1-enyl]benzene
CID 12892889
3-(3-methoxy-4-propoxyphenyl)prop-2-enal
CID 79331084
3-(4-methoxy-3-propoxyphenyl)-2-methylprop-2-enoic acid
CID 79726677
2-[(4-methoxy-3-propoxyphenyl)methylidene]butan-1-ol
CID 79334289
(E)-4-(3,4-dimethoxyphenyl)but-3-enal
CID 87333792

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloroprop-1-enyl)-1-methoxy-2-propoxybenzene?
The IUPAC name of 4-(3-chloroprop-1-enyl)-1-methoxy-2-propoxybenzene (CID 79323774) is 4-(3-chloroprop-1-enyl)-1-methoxy-2-propoxybenzene.
What is the SMILES notation for 4-(3-chloroprop-1-enyl)-1-methoxy-2-propoxybenzene?
The canonical SMILES for 4-(3-chloroprop-1-enyl)-1-methoxy-2-propoxybenzene is CCCOc1cc(C=CCCl)ccc1OC.
What is the InChIKey of 4-(3-chloroprop-1-enyl)-1-methoxy-2-propoxybenzene?
The InChIKey is UVHWWRSGPCXIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClO2/c1-3-9-16-13-10-11(5-4-8-14)6-7-12(13)15-2/h4-7,10H,3,8-9H2,1-2H3.
What are the key properties of 4-(3-chloroprop-1-enyl)-1-methoxy-2-propoxybenzene?
4-(3-chloroprop-1-enyl)-1-methoxy-2-propoxybenzene has a molecular weight of 240.73 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloroprop-1-enyl)-1-methoxy-2-propoxybenzene is sourced from PubChem (CID 79323774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).