1-chloro-4-methoxy-2-prop-2-enoxybenzene

C10H11ClO2 — CID 20701294

IUPAC1-chloro-4-methoxy-2-prop-2-enoxybenzene
SMILESC=CCOc1cc(OC)ccc1Cl
InChIInChI=1S/C10H11ClO2/c1-3-6-13-10-7-8(12-2)4-5-9(10)11/h3-5,7H,1,6H2,2H3
InChIKeyFJVYDPBDZZEKTE-UHFFFAOYSA-N
MW198.65 g/mol
LogP2.91
Rot. Bonds4

About 1-chloro-4-methoxy-2-prop-2-enoxybenzene

1-chloro-4-methoxy-2-prop-2-enoxybenzene (PubChem CID 20701294) has the molecular formula C10H11ClO2 and a molecular weight of 198.65 g/mol. Its IUPAC name is 1-chloro-4-methoxy-2-prop-2-enoxybenzene.

Molecular Properties

Compound Name1-chloro-4-methoxy-2-prop-2-enoxybenzene
PubChem CID20701294
Molecular FormulaC10H11ClO2
Molecular Weight198.65 g/mol
Exact Mass198.04
IUPAC Name1-chloro-4-methoxy-2-prop-2-enoxybenzene
SMILESC=CCOc1cc(OC)ccc1Cl
InChIInChI=1S/C10H11ClO2/c1-3-6-13-10-7-8(12-2)4-5-9(10)11/h3-5,7H,1,6H2,2H3
InChIKeyFJVYDPBDZZEKTE-UHFFFAOYSA-N
XLogP2.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-4-methoxy-2-prop-2-enoxybenzene
CID 14703422
bis(4-methoxy-2-prop-2-enoxyphenyl)methanone
CID 134843871
(NE)-N-[(4-methoxy-2-prop-2-enoxyphenyl)methylidene]hydroxylamine
CID 10584441
N-[(4-methoxy-2-prop-2-enoxyphenyl)methyl]cyclopropanamine
CID 61267827
ethane;4-methoxy-1-nitro-2-prop-2-enoxybenzene
CID 143133344
O-(4-chloro-3-prop-2-enoxyphenyl) 2,5-dihydropyrrole-1-carbothioate
CID 13124811
N-[(3-chloro-4-prop-2-enoxyphenyl)methyl]-4-methoxyaniline
CID 126127925
6-methoxy-4-prop-2-enoxyquinoline
CID 86730706
(5-bromo-2-chloro-4-prop-2-enoxyphenyl)-(4-methoxyphenyl)methanol
CID 68554778
7-chloro-2-[(4-methoxyphenyl)methyl]-3-methyl-4-prop-2-enoxy-1-benzofuran
CID 19910737
1-chloro-4-methoxy-2-(3-propylsulfonylpropoxy)benzene
CID 140981926
(2-chloro-5-methoxyphenyl) propanoate
CID 91527041

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-methoxy-2-prop-2-enoxybenzene?
The IUPAC name of 1-chloro-4-methoxy-2-prop-2-enoxybenzene (CID 20701294) is 1-chloro-4-methoxy-2-prop-2-enoxybenzene.
What is the SMILES notation for 1-chloro-4-methoxy-2-prop-2-enoxybenzene?
The canonical SMILES for 1-chloro-4-methoxy-2-prop-2-enoxybenzene is C=CCOc1cc(OC)ccc1Cl.
What is the InChIKey of 1-chloro-4-methoxy-2-prop-2-enoxybenzene?
The InChIKey is FJVYDPBDZZEKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO2/c1-3-6-13-10-7-8(12-2)4-5-9(10)11/h3-5,7H,1,6H2,2H3.
What are the key properties of 1-chloro-4-methoxy-2-prop-2-enoxybenzene?
1-chloro-4-methoxy-2-prop-2-enoxybenzene has a molecular weight of 198.65 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-methoxy-2-prop-2-enoxybenzene is sourced from PubChem (CID 20701294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).