1-bromo-4-methoxy-2-prop-2-enoxybenzene

C10H11BrO2 — CID 14703422

IUPAC1-bromo-4-methoxy-2-prop-2-enoxybenzene
SMILESC=CCOc1cc(OC)ccc1Br
InChIInChI=1S/C10H11BrO2/c1-3-6-13-10-7-8(12-2)4-5-9(10)11/h3-5,7H,1,6H2,2H3
InChIKeyPTQRQJHFYSRTKE-UHFFFAOYSA-N
MW243.10 g/mol
LogP3.02
Rot. Bonds4

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

1-bromo-4-methoxy-2-prop-2-enoxybenzene (PubChem CID 14703422) has the molecular formula C10H11BrO2 and a molecular weight of 243.10 g/mol. Its IUPAC name is 1-bromo-4-methoxy-2-prop-2-enoxybenzene.

Molecular Properties

Compound Name1-bromo-4-methoxy-2-prop-2-enoxybenzene
PubChem CID14703422
Molecular FormulaC10H11BrO2
Molecular Weight243.10 g/mol
Exact Mass241.99
IUPAC Name1-bromo-4-methoxy-2-prop-2-enoxybenzene
SMILESC=CCOc1cc(OC)ccc1Br
InChIInChI=1S/C10H11BrO2/c1-3-6-13-10-7-8(12-2)4-5-9(10)11/h3-5,7H,1,6H2,2H3
InChIKeyPTQRQJHFYSRTKE-UHFFFAOYSA-N
XLogP3.02
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.10
LogP ≤ 53.02
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-chloro-4-methoxy-2-prop-2-enoxybenzene
CID 20701294
bis(4-methoxy-2-prop-2-enoxyphenyl)methanone
CID 134843871
(NE)-N-[(4-methoxy-2-prop-2-enoxyphenyl)methylidene]hydroxylamine
CID 10584441
ethane;4-methoxy-1-nitro-2-prop-2-enoxybenzene
CID 143133344
(5-bromo-2-chloro-4-prop-2-enoxyphenyl)-(4-methoxyphenyl)methanol
CID 68554778
4-bromo-3-methoxy-N-[(4-prop-2-enoxyphenyl)methyl]aniline
CID 82859870
2-(2-bromo-5-methoxyphenoxy)-N,N-dimethylacetamide
CID 172906988
6-methoxy-4-prop-2-enoxyquinoline
CID 86730706
3-[(4-methoxy-2-prop-2-enoxybenzoyl)amino]propanoic acid
CID 120515258
N-[(4-methoxy-2-prop-2-enoxyphenyl)methyl]cyclopropanamine
CID 61267827
2-(2-bromo-5-methoxyphenoxy)-N-ethylacetamide
CID 172906966
2-bromo-4-methoxy-1-[(2S)-pent-4-en-2-yl]oxybenzene
CID 118316335

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-methoxy-2-prop-2-enoxybenzene?
The IUPAC name of 1-bromo-4-methoxy-2-prop-2-enoxybenzene (CID 14703422) is 1-bromo-4-methoxy-2-prop-2-enoxybenzene.
What is the SMILES notation for 1-bromo-4-methoxy-2-prop-2-enoxybenzene?
The canonical SMILES for 1-bromo-4-methoxy-2-prop-2-enoxybenzene is C=CCOc1cc(OC)ccc1Br.
What is the InChIKey of 1-bromo-4-methoxy-2-prop-2-enoxybenzene?
The InChIKey is PTQRQJHFYSRTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO2/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-bromo-4-methoxy-2-prop-2-enoxybenzene?
1-bromo-4-methoxy-2-prop-2-enoxybenzene has a molecular weight of 243.10 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-methoxy-2-prop-2-enoxybenzene is sourced from PubChem (CID 14703422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).