1-chloro-3-prop-2-enoxybenzene

C9H9ClO — CID 641267

IUPAC1-chloro-3-prop-2-enoxybenzene
SMILESC=CCOc1cccc(Cl)c1
InChIInChI=1S/C9H9ClO/c1-2-6-11-9-5-3-4-8(10)7-9/h2-5,7H,1,6H2
InChIKeyRZISNNCAILKGSJ-UHFFFAOYSA-N
MW168.62 g/mol
LogP2.90
Rot. Bonds3

About 1-chloro-3-prop-2-enoxybenzene

1-chloro-3-prop-2-enoxybenzene (PubChem CID 641267) has the molecular formula C9H9ClO and a molecular weight of 168.62 g/mol. Its IUPAC name is 1-chloro-3-prop-2-enoxybenzene.

Molecular Properties

Compound Name1-chloro-3-prop-2-enoxybenzene
PubChem CID641267
Molecular FormulaC9H9ClO
Molecular Weight168.62 g/mol
Exact Mass168.03
IUPAC Name1-chloro-3-prop-2-enoxybenzene
SMILESC=CCOc1cccc(Cl)c1
InChIInChI=1S/C9H9ClO/c1-2-6-11-9-5-3-4-8(10)7-9/h2-5,7H,1,6H2
InChIKeyRZISNNCAILKGSJ-UHFFFAOYSA-N
XLogP2.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.62
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Chlorphenesin
CID 7697
Phenetole
CID 7674
2-(4-Chlorophenoxy)ethanol
CID 15907
3-Chlorophenoxyacetic acid
CID 11497
Benzene, (2-chloroethoxy)-
CID 12156
Butyl phenyl ether
CID 14311
4-Chlorophenyl phenyl ether
CID 23436
Allyl phenyl ether
CID 74458
2-Chloro-1,4-dimethoxybenzene
CID 246724
2-Chloro-1,4-diethoxybenzene
CID 40273
4,4'-Dichlorodiphenyl ether
CID 17126
Benzene, propoxy-
CID 12155

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-prop-2-enoxybenzene?
The IUPAC name of 1-chloro-3-prop-2-enoxybenzene (CID 641267) is 1-chloro-3-prop-2-enoxybenzene.
What is the SMILES notation for 1-chloro-3-prop-2-enoxybenzene?
The canonical SMILES for 1-chloro-3-prop-2-enoxybenzene is C=CCOc1cccc(Cl)c1.
What is the InChIKey of 1-chloro-3-prop-2-enoxybenzene?
The InChIKey is RZISNNCAILKGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClO/c1-2-6-11-9-5-3-4-8(10)7-9/h2-5,7H,1,6H2.
What are the key properties of 1-chloro-3-prop-2-enoxybenzene?
1-chloro-3-prop-2-enoxybenzene has a molecular weight of 168.62 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-prop-2-enoxybenzene is sourced from PubChem (CID 641267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).