(5-bromo-2-chloro-4-prop-2-enoxyphenyl)-(4-methoxyphenyl)methanol

C17H16BrClO3 — CID 68554778

IUPAC(5-bromo-2-chloro-4-prop-2-enoxyphenyl)-(4-methoxyphenyl)methanol
SMILESC=CCOc1cc(Cl)c(C(O)c2ccc(OC)cc2)cc1Br
InChIInChI=1S/C17H16BrClO3/c1-3-8-22-16-10-15(19)13(9-14(16)18)17(20)11-4-6-12(21-2)7-5-11/h3-7,9-10,17,20H,1,8H2,2H3
InChIKeyVETPFMNEPZOSIP-UHFFFAOYSA-N
MW383.67 g/mol
LogP4.76
Rot. Bonds6

About (5-bromo-2-chloro-4-prop-2-enoxyphenyl)-(4-methoxyphenyl)methanol

(5-bromo-2-chloro-4-prop-2-enoxyphenyl)-(4-methoxyphenyl)methanol (PubChem CID 68554778) has the molecular formula C17H16BrClO3 and a molecular weight of 383.67 g/mol. Its IUPAC name is (5-bromo-2-chloro-4-prop-2-enoxyphenyl)-(4-methoxyphenyl)methanol.

Molecular Properties

Compound Name(5-bromo-2-chloro-4-prop-2-enoxyphenyl)-(4-methoxyphenyl)methanol
PubChem CID68554778
Molecular FormulaC17H16BrClO3
Molecular Weight383.67 g/mol
Exact Mass382.00
IUPAC Name(5-bromo-2-chloro-4-prop-2-enoxyphenyl)-(4-methoxyphenyl)methanol
SMILESC=CCOc1cc(Cl)c(C(O)c2ccc(OC)cc2)cc1Br
InChIInChI=1S/C17H16BrClO3/c1-3-8-22-16-10-15(19)13(9-14(16)18)17(20)11-4-6-12(21-2)7-5-11/h3-7,9-10,17,20H,1,8H2,2H3
InChIKeyVETPFMNEPZOSIP-UHFFFAOYSA-N
XLogP4.76
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.67
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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
1-chloro-4-methoxy-2-prop-2-enoxybenzene
CID 20701294
(5-bromo-4-butoxy-2-chlorophenyl)-[4-[2-(methoxymethoxy)ethyl]phenyl]methanol
CID 89319539
1-bromo-4-chloro-5-[(4-ethoxyphenyl)methyl]-2-prop-2-enoxybenzene
CID 86728582
(3-bromo-4-chlorophenyl)-(2,4-dimethoxyphenyl)methanol
CID 115566318
(4-bromo-2-chlorophenyl)-(4-ethoxyphenyl)methanol
CID 61101078
1-(3-bromo-4-ethoxyphenyl)-2-(4-methoxyphenyl)ethanol
CID 104661097
(5-bromo-2-chlorophenyl)-(3-bromo-4-methoxyphenyl)methanol
CID 61100484
(3-bromo-4-methoxyphenyl)-(2,4-dichlorophenyl)methanol
CID 61100992
5-[(1R)-1-(4-methoxyphenyl)ethyl]-6-prop-2-enoxy-1,3-benzodioxole
CID 6992694
(3-bromo-4-ethoxyphenyl)-(3-bromo-4-methoxyphenyl)methanol
CID 104661023
(3-bromo-4-chlorophenyl)-(2-fluoro-4-methoxyphenyl)methanol
CID 103395113

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-chloro-4-prop-2-enoxyphenyl)-(4-methoxyphenyl)methanol?
The IUPAC name of (5-bromo-2-chloro-4-prop-2-enoxyphenyl)-(4-methoxyphenyl)methanol (CID 68554778) is (5-bromo-2-chloro-4-prop-2-enoxyphenyl)-(4-methoxyphenyl)methanol.
What is the SMILES notation for (5-bromo-2-chloro-4-prop-2-enoxyphenyl)-(4-methoxyphenyl)methanol?
The canonical SMILES for (5-bromo-2-chloro-4-prop-2-enoxyphenyl)-(4-methoxyphenyl)methanol is C=CCOc1cc(Cl)c(C(O)c2ccc(OC)cc2)cc1Br.
What is the InChIKey of (5-bromo-2-chloro-4-prop-2-enoxyphenyl)-(4-methoxyphenyl)methanol?
The InChIKey is VETPFMNEPZOSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrClO3/c1-3-8-22-16-10-15(19)13(9-14(16)18)17(20)11-4-6-12(21-2)7-5-11/h3-7,9-10,17,20H,1,8H2,2H3.
What are the key properties of (5-bromo-2-chloro-4-prop-2-enoxyphenyl)-(4-methoxyphenyl)methanol?
(5-bromo-2-chloro-4-prop-2-enoxyphenyl)-(4-methoxyphenyl)methanol has a molecular weight of 383.67 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-chloro-4-prop-2-enoxyphenyl)-(4-methoxyphenyl)methanol is sourced from PubChem (CID 68554778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).